data_2m0b_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 2m0b _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.2 mmm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.85 -43.76 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.96 -37.49 87.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.61 -39.68 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.7 -48.11 82.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 50.4 mt -65.51 -46.35 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.43 -40.41 96.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.43 -52.03 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.38 -44.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.43 -36.18 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.12 -44.81 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.88 84.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 30.2 mt -58.66 -50.48 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.02 65.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.33 -43.69 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.47 -49.29 70.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.937 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.85 87.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.1 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.49 -48.44 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.48 -46.87 78.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.99 -51.86 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.27 -43.77 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 62.2 t -63.87 -36.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.91 -44.92 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.56 85.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 29.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 73.8 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.75 -44.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.86 98.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.4 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.75 -47.2 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.79 -37.11 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.5 mt -59.74 -52.3 66.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.65 -40.72 84.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.62 -35.99 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 70.5 t -66.21 -44.41 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.88 92.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.67 -50.35 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.4 -47.9 66.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.71 -47.09 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -49.11 62.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.915 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.876 0.369 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.1 -41.25 97.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.17 -45.05 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.23 -47.73 84.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 68.6 mt -63.54 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.4 -37.3 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.76 -52.38 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.61 -40.74 84.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.65 -35.96 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.2 -44.22 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.95 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.9 mmm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.51 -45.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.77 99.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.65 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.5 -48.04 82.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.43 -46.25 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 30.6 mt -63.36 -39.4 94.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 18.9 mt -58.19 -52.4 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.69 -39.35 80.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 63.1 t -66.62 -35.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.92 -44.24 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.88 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.56 -49.81 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.4 87.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 23.7 mt -56.37 -50.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.37 -49.43 60.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.868 0.366 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.31 -40.44 98.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.21 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.3 mt -62.13 -47.84 82.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.38 -45.77 86.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.08 -39.78 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.71 -52.53 65.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.75 -40.08 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.02 -36.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.77 -43.78 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.96 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 23.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.6 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.82 -45.75 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.45 97.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.4 -47.28 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.04 -47.4 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.94 -47.52 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.36 -39.28 90.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.64 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.03 -43.7 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.49 -36.15 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 77.7 t -65.07 -44.61 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.96 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.09 -50.79 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.2 -51.3 58.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.72 -43.91 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.21 -50.99 60.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.908 0.385 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.6 97.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.99 53.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.13 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.64 -46.65 87.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.3 -38.63 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.16 -51.87 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.67 -42.45 83.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.26 -36.05 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.86 -42.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.29 -46.84 84.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 25.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.2 mmm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.21 -42.02 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.88 99.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.4 56.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.85 -48.44 75.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 67.7 mt -63.21 -48.16 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.94 -40.68 89.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.61 -52.1 66.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.6 -42.64 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.89 -36.38 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.72 -42.03 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.11 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.52 -48.74 80.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.15 -50.45 55.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.95 -42.63 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.45 -50.9 57.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.942 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.811 0.339 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.85 99.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.65 -46.14 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.1 mt -56.44 -48.26 77.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.14 -48.01 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.24 -40.83 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.4 mt -56.54 -44.17 80.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.67 -36.32 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.75 -44.7 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.81 86.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.29 -42.61 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.67 -38.03 85.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.47 69.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.47 -48.22 82.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.15 -48.44 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.89 -51.92 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.92 -45.13 78.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.61 -36.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.8 -46.64 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.35 -48.28 81.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 19.0 mt -55.46 -51.46 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.39 -52.02 52.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.3 -42.77 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.13 67.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.37 -37.63 90.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.37 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.56 -48.13 83.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.59 -49.01 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 74.9 mt -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.65 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.86 -44.96 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.32 -36.45 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.22 -45.32 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.36 86.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 55.6 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.96 -44.84 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -66.32 -37.44 92.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.09 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.57 -47.69 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 51.9 mt -65.4 -47.0 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.9 -39.82 93.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.8 -52.11 67.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.28 -44.29 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.96 -36.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.16 -46.58 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.24 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 30.8 mt -58.48 -50.29 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -48.41 71.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.3 mt -57.9 -46.3 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.15 -46.41 85.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.941 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.904 0.383 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.48 -37.11 89.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -41.21 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.46 -48.07 82.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.57 -45.89 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.87 -40.15 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.53 -52.36 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.51 -43.09 79.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.25 -36.28 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.4 -44.54 90.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.16 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.3 mmm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.4 -45.44 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.78 -40.87 98.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.24 -47.2 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.16 -48.17 76.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.81 -48.93 76.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 37.8 mt -59.45 -39.97 85.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.13 -52.27 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.88 -36.8 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 77.5 t -64.9 -45.22 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.82 84.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 19.6 mt -55.41 -50.38 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.59 -53.4 46.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 70.7 mt -56.88 -38.94 61.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.61 -51.71 57.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 37.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.88 0.372 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.53 -40.77 99.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.96 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.45 -48.6 76.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.14 -48.92 77.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 34.6 mt -59.64 -40.67 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.24 -52.36 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.05 -45.41 79.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.28 -36.66 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.07 -49.63 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -56.59 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.1 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.334 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.52 -46.7 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.34 97.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.69 62.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.6 mt -60.32 -47.84 84.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.84 -46.02 89.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.63 -38.28 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.75 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.6 -41.78 86.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.19 -35.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.91 -43.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.44 -50.19 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.97 -49.56 66.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 27.2 mt -57.38 -44.14 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.16 -52.19 52.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.88 0.371 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.24 96.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.427 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.13 61.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.47 -47.75 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.18 -46.5 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.19 -38.49 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 21.7 mt -58.24 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.54 -42.1 87.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.02 -35.77 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.78 -43.68 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.42 -44.95 95.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.0 mmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.9 -46.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.54 98.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.36 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.68 -47.83 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.0 -46.25 90.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.37 -37.64 88.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.44 -42.04 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.88 -35.88 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.91 -44.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.96 92.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.95 -50.52 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.29 -48.88 66.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 27.7 mt -58.04 -45.21 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.78 -51.7 53.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 63.8 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.901 0.382 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.23 98.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.87 -45.68 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.62 -47.86 82.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.93 -46.41 89.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.31 -37.77 88.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.19 -52.02 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.55 -42.29 87.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.93 -35.75 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.75 -44.07 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.74 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 28.6 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 82.5 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.07 -47.03 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.49 97.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.28 -46.91 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.46 -47.69 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.48 -46.87 86.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.28 -38.17 88.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.46 -52.1 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.46 -43.23 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.22 -35.83 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.25 -43.04 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.62 92.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 22.8 mt -58.29 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.93 -44.36 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.54 -49.18 71.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.8 97.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.36 -46.19 56.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.98 -47.52 80.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.96 -46.31 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.55 -38.92 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.85 -52.03 67.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.3 -43.0 82.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.86 -36.05 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.72 -44.9 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.68 -44.74 96.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 68.4 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.01 -46.02 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.83 -40.32 98.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.09 -46.0 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.1 mt -55.87 -47.57 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.08 -47.43 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.53 -39.5 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.4 mt -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.91 -44.98 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.96 -37.05 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.28 -47.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.59 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 21.3 mt -56.36 -50.98 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.47 42.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 90.0 mt -57.42 -36.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.32 -50.95 61.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.893 0.378 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.72 -40.59 98.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.45 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.4 mt -56.49 -47.58 78.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.97 -47.35 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.67 -40.24 91.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 24.6 mt -58.34 -51.92 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.06 -44.97 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.05 -36.42 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 80.0 t -64.03 -49.46 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.41 -44.96 85.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.4 mmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.09 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.97 -40.11 96.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.1 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.93 -47.93 76.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.35 -46.33 89.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 31.5 mt -62.86 -37.62 87.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.88 -52.09 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.13 -41.71 84.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.26 -36.0 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.93 -43.53 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.18 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.24 -50.55 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.45 65.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 28.0 mt -57.19 -45.34 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.22 -50.32 62.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 63.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.19 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.37 -44.26 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.7 -47.77 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.52 -47.3 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.62 -37.44 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.63 -52.29 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.98 -42.46 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.49 -35.99 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 79.2 t -65.73 -43.9 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 64.6 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.84 -44.99 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.55 -40.76 99.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.22 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.39 -48.16 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.39 -46.97 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.9 -38.21 84.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.6 -52.15 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.9 -44.68 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.6 -36.79 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.96 -43.22 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.66 -49.04 76.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.11 -51.7 57.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.89 -38.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -60.51 -51.85 56.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.05 99.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.35 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.61 -47.69 79.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.62 -48.29 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.31 -40.26 89.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 23.9 mt -57.87 -52.0 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.47 -44.8 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.07 -36.05 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.17 -48.21 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 90.0 mmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.19 -44.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.23 -37.84 95.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.05 -46.16 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.15 -48.14 82.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.23 -38.86 92.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.04 -52.31 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.95 -40.98 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.19 -35.75 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.96 -44.13 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.92 -45.36 94.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.36 -50.53 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -49.58 68.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 34.8 mt -57.12 -43.87 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.46 -51.14 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.895 0.379 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.58 95.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.62 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.52 -48.24 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.7 -46.88 87.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.84 -38.91 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.89 -52.35 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.65 -41.35 90.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.96 -35.74 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.74 -44.4 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.99 95.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 45.8 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.63 -43.98 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.3 98.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.88 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.7 mt -55.92 -48.02 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.27 -47.21 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 37.2 mt -60.68 -39.99 90.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.54 -52.25 66.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.01 -45.38 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.18 -36.29 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 78.6 t -64.82 -44.63 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.7 89.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 24.2 mt -57.99 -50.27 73.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.21 -51.26 58.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 43.7 mt -55.31 -44.27 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.43 -49.82 69.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.81 97.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.43 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.5 -47.65 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.19 -46.69 85.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.55 -39.15 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.28 -51.98 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.6 -43.77 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.59 -36.28 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.3 -42.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.28 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 93.1 mmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.3 t -60.1 -46.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.91 98.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.27 -45.69 59.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.02 -47.89 79.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.7 -47.07 85.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.93 -38.43 88.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.33 -51.97 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.26 -43.69 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.79 -35.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.59 -44.41 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.43 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.39 -51.57 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.72 -50.59 62.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 58.8 mt -56.83 -44.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.44 -50.93 59.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.68 98.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.16 -46.04 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.7 mt -56.41 -47.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 68.6 mt -63.11 -46.44 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.22 -38.05 87.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.99 -51.89 67.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.17 -42.72 81.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.75 -36.29 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.94 -44.44 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.42 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 41.9 mmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.25 -41.63 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.34 -36.48 78.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.67 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.7 -48.89 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.73 -47.56 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.0 -43.9 98.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.06 -52.24 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -55.59 -45.68 77.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.26 -36.13 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.31 -45.45 93.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.82 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 24.9 mt -58.39 -50.79 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.82 61.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.9 -40.88 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.29 86.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.832 0.349 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.32 -35.99 77.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.92 -41.09 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.17 -48.79 78.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.69 -45.65 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.61 -41.87 99.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.33 -52.35 65.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -55.71 -44.44 77.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.13 -36.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.13 -42.62 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.31 -49.02 77.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -45.04 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.38 -41.42 96.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.39 62.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.1 mt -59.66 -48.36 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.51 -47.72 80.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.17 -38.41 88.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.46 -52.29 66.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.28 -41.21 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.22 -36.23 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.25 -44.7 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.98 87.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.74 -50.15 74.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.61 65.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.2 mt -58.0 -46.97 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.8 -49.16 62.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.5 97.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.02 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.05 -48.05 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.33 -48.31 78.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.64 -39.31 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 20.8 mt -57.56 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.95 -42.26 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.68 -36.18 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.82 -44.74 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.42 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 56.8 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 43.2 t -61.1 -43.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.28 -36.33 84.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.0 -40.52 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.86 -48.56 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.89 -46.62 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 41.4 mt -62.32 -42.86 99.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.67 -52.48 63.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.87 -45.62 78.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.24 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.0 -45.26 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.2 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.55 -50.62 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.95 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 69.9 mt -54.61 -41.93 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.06 -52.09 54.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.61 81.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.67 -41.12 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.73 -49.01 78.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.48 -47.04 80.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 28.4 mt -61.87 -43.45 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 20.1 mt -55.09 -52.48 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.98 -44.97 79.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.69 -36.32 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.08 -44.25 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.34 82.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.05 90.19 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 3.2 t -159.78 68.85 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -4.3 13.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 62.07 27.43 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.12 145.63 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 166.96 71.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 98.56 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -173.66 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.2 mt -119.08 74.75 14.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -10.69 60.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.53 -16.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.95 53.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.2 m -50.5 -47.51 57.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.55 -35.2 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.2 mmm -65.61 -54.27 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.85 -43.76 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.96 -37.49 87.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.61 -39.68 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.7 -48.11 82.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 50.4 mt -65.51 -46.35 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.43 -40.41 96.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.43 -52.03 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.38 -44.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.43 -36.18 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.12 -44.81 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.88 84.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 30.2 mt -58.66 -50.48 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.02 65.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.33 -43.69 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.47 -49.29 70.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.22 -34.17 74.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -66.47 -50.94 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 51.9 mtm -61.99 -36.51 81.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -42.43 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -89.3 4.94 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -113.84 117.89 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 161.96 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.31 107.99 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.48 150.03 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 165.63 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 63.16 49.55 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -152.75 -44.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 12.0 t -150.27 73.4 9.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.28 29.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 5.4 p -53.56 -57.84 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -135.2 176.01 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 151.71 76.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 126.6 13.51 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -144.42 127.4 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.61 74.82 1.68 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 111.189 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -10.52 59.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.4 tt -63.09 -16.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.05 -31.94 14.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.64 -47.46 67.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -72.12 -33.34 62.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 46.4 mmm -67.24 -54.53 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.81 -42.81 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.85 87.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.1 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.49 -48.44 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.48 -46.87 78.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.99 -51.86 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.27 -43.77 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 62.2 t -63.87 -36.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.91 -44.92 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.56 85.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.01 -50.31 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.57 -48.9 67.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 31.2 mt -59.76 -43.08 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.78 76.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.17 -33.76 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -67.05 -50.99 60.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 51.6 mtm -62.42 -36.17 81.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -45.23 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 50.48 55.28 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -144.07 132.18 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -117.15 -27.48 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.3 pt -107.79 98.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.29 144.11 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -61.32 165.86 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -119.61 135.3 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 93.27 32.12 8.0 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 3.2 t -144.6 68.11 14.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 76.84 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 15.3 p 49.63 43.35 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -129.75 173.1 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 95.1 75.94 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.24 64.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -159.28 130.54 6.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 31.2 mt -134.0 69.72 74.71 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.593 0.711 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -10.87 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.56 -11.48 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.98 -29.72 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 20.3 m -54.7 -49.1 71.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.37 -36.75 78.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 73.8 mmm -65.29 -47.88 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.75 -44.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.86 98.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.4 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.75 -47.2 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.79 -37.11 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.5 mt -59.74 -52.3 66.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.65 -40.72 84.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.62 -35.99 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 70.5 t -66.21 -44.41 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.88 92.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.67 -50.35 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.4 -47.9 66.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.71 -47.09 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -49.11 62.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.31 -35.74 73.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -63.59 -51.15 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 49.6 mtm -63.0 -37.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -70.43 -25.6 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -70.07 -22.95 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -122.58 119.86 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -67.35 174.68 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.39 104.94 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 36.0 m -52.92 -32.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.73 138.15 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -62.53 -42.98 99.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -134.79 -54.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 75.2 m 54.23 73.17 0.94 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.61 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.26 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 18.4 p 49.33 47.09 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.62 142.46 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 110.97 71.7 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.03 61.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -146.09 118.36 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.56 70.47 81.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 111.116 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.89 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -11.72 61.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.55 -12.25 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.19 -29.55 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.9 m -55.14 -49.54 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.33 84.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 71.0 mmm -64.79 -49.73 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.71 -45.53 90.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.1 -41.25 97.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.17 -45.05 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.23 -47.73 84.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 68.6 mt -63.54 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.4 -37.3 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.76 -52.38 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.61 -40.74 84.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.65 -35.96 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.2 -44.22 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.95 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.64 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.43 -47.55 68.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 21.5 mt -59.04 -47.27 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.79 63.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.8 -35.4 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -63.81 -51.14 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 49.9 mtm -62.77 -39.43 94.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -69.59 -35.78 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -96.63 86.51 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -140.93 138.69 34.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -51.84 -38.95 57.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.2 tt -58.34 98.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 24.6 t -105.62 147.99 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -116.53 -27.41 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.34 177.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 100.84 91.59 2.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 16.3 t -154.11 69.76 6.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.94 19.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 3.0 m 66.77 41.76 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -122.07 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 148.17 70.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 157.02 61.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -164.07 133.18 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 30.6 mt -129.76 69.58 81.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.2 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.4 -9.91 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 40.5 mt -67.31 -11.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.9 -29.8 30.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -54.71 -47.5 73.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.1 -36.47 64.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.9 mmm -65.83 -48.07 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.51 -45.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.77 99.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.65 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.5 -48.04 82.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.43 -46.25 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 30.6 mt -63.36 -39.4 94.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 18.9 mt -58.19 -52.4 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.69 -39.35 80.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 63.1 t -66.62 -35.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.92 -44.24 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.88 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.56 -49.81 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.4 87.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 23.7 mt -56.37 -50.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.37 -49.43 60.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.28 -35.4 69.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -76.45 -35.76 58.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.2 mtt -60.57 -49.2 78.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -74.61 -25.03 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -66.48 -26.26 67.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -109.21 -29.08 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -89.67 144.08 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.1 pt -114.16 112.2 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 10.9 p -65.76 150.65 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -77.62 151.53 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 28.2 tttm 56.36 33.33 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.916 0.388 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 101.59 -164.64 17.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 6.6 p -152.58 70.52 7.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 84.71 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.232 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 9.1 t 37.81 42.58 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -102.27 151.42 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -150.28 163.17 29.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -172.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -135.16 121.18 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 20.0 mm -114.03 71.91 2.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.171 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -9.82 59.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 5.9 tt -66.58 -13.63 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.36 -30.48 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 10.3 m -54.14 -49.02 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.42 77.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 68.8 mmm -65.78 -46.93 76.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.18 -45.95 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.31 -40.44 98.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.21 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.3 mt -62.13 -47.84 82.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.38 -45.77 86.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.08 -39.78 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.71 -52.53 65.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.0 mt -58.75 -40.08 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.02 -36.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.77 -43.78 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.96 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 23.7 mt -58.47 -50.35 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.01 -49.61 62.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.442 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 25.2 mt -57.87 -44.69 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.381 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.23 -49.55 67.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 35.1 mt -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.17 -50.8 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 51.1 mtm -63.41 -32.36 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -39.08 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.24 4.38 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -127.91 -176.01 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -59.41 106.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.04 110.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.25 136.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 179.55 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -167.19 163.46 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 153.15 -111.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.9 t -149.92 68.35 8.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -20.49 34.57 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 5.3 t -55.65 -25.23 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -60.89 141.82 56.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 130.7 71.16 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -148.22 128.76 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.0 mt -137.05 67.55 55.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -165.73 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -11.02 60.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 27.0 mm -66.65 -11.85 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.03 -30.61 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 14.1 m -54.17 -48.69 70.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.78 -35.46 73.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.6 mmm -67.15 -42.55 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.82 -45.75 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.45 97.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.4 -47.28 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.04 -47.4 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.94 -47.52 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.36 -39.28 90.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.64 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.03 -43.7 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.49 -36.15 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 77.7 t -65.07 -44.61 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.96 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.09 -50.79 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.2 -51.3 58.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.72 -43.91 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.21 -50.99 60.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.1 mt -68.51 -33.93 74.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -66.55 -51.48 56.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 53.2 mtm -60.39 -38.51 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -81.81 -24.3 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -58.75 -27.55 65.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -79.83 -8.77 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 59.3 mt -77.36 99.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.5 t 62.41 63.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -85.23 -35.29 21.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -61.58 139.48 58.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.95 0.405 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.53 -90.27 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 97.9 m -119.5 73.35 15.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -23.19 31.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 13.3 p -56.68 -32.49 65.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -141.01 133.71 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 164.43 71.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 133.7 26.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -116.83 106.28 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.1 pp -121.86 68.07 23.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.124 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -164.79 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.92 -12.57 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 26.8 mm -66.88 -12.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.45 21.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.7 m -54.81 -46.81 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.34 -35.68 63.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 53.1 mmm -67.23 -43.92 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.47 -45.26 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.6 97.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.99 53.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.13 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.64 -46.65 87.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.3 -38.63 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.16 -51.87 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.67 -42.45 83.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.26 -36.05 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.86 -42.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.29 -46.84 84.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 25.9 mt -58.16 -49.0 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.66 63.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 34.1 mt -57.96 -40.85 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.098 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.78 57.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.26 -32.17 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -72.04 -51.51 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 56.7 mtm -58.4 -31.37 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -56.4 -25.21 49.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 50.86 45.72 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -143.62 131.69 21.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -114.02 -39.07 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.57 110.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.26 147.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -52.01 110.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -165.77 175.04 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.02 89.18 2.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 49.7 t -171.6 73.95 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 87.35 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 14.4 p 49.74 39.59 18.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -104.03 154.77 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 111.01 73.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 139.59 40.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -158.25 132.21 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 24.8 mt -132.29 66.55 77.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.91 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -11.18 60.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.87 -15.47 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.21 -29.51 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.6 m -54.38 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.01 -36.58 81.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.2 mmm -65.59 -45.82 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.21 -42.02 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.88 99.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.4 56.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.85 -48.44 75.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 67.7 mt -63.21 -48.16 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.94 -40.68 89.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.61 -52.1 66.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.6 -42.64 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.89 -36.38 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.72 -42.03 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.11 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.52 -48.74 80.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.15 -50.45 55.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.95 -42.63 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.45 -50.9 57.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.22 -35.96 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -66.75 -50.87 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 58.4 mtm -60.39 -32.02 70.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -28.09 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 50.99 60.94 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -70.53 -28.27 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -130.12 99.2 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 69.1 mt -101.23 106.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 67.1 t -110.68 115.66 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -77.93 141.61 38.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 166.75 24.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.02 -81.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 10.9 t -127.0 69.63 73.59 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.36 18.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.8 m 65.92 38.96 4.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -83.67 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -158.71 176.68 35.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 102.97 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -132.3 119.07 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 30.0 mt -126.82 67.69 68.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -166.2 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -9.42 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 36.0 mt -68.88 -11.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.36 53.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 6.7 m -55.71 -48.71 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.17 -37.6 63.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 49.5 mmm -64.86 -48.74 73.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.95 -42.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.85 99.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.65 -46.14 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.1 mt -56.44 -48.26 77.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.14 -48.01 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.24 -40.83 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.4 mt -56.54 -44.17 80.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.67 -36.32 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.75 -44.7 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.81 86.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.32 -49.32 77.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.95 -49.58 70.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 38.0 mt -56.59 -44.49 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.23 52.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.1 mt -68.0 -32.97 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -67.65 -51.71 46.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 56.8 mtm -58.13 -41.93 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -24.42 53.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -66.66 -23.21 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -135.53 -175.43 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -129.15 26.68 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 73.6 mt -55.99 -30.64 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.37 97.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -138.98 167.15 22.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.2 153.69 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -92.35 19.71 48.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.0 t -137.71 68.19 51.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.07 13.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.351 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 62.06 26.9 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.31 146.37 24.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 113.76 165.92 15.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 162.11 43.35 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.32 130.23 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 29.0 mt -143.34 72.48 17.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -9.92 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 7.0 tt -65.72 -13.77 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.83 -32.01 18.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -52.73 48.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.98 75.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.427 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -54.76 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.29 -42.61 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.67 -38.03 85.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.47 69.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.47 -48.22 82.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.15 -48.44 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.89 -51.92 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.92 -45.13 78.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.61 -36.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.8 -46.64 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.35 -48.28 81.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 19.0 mt -55.46 -51.46 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.39 -52.02 52.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.3 -42.77 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.13 67.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt -69.64 -34.98 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.35 -51.21 62.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 59.5 mtm -60.21 -41.98 94.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -73.14 -25.34 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -81.11 -22.67 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -53.73 -28.43 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -58.07 98.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 35.6 pt -84.27 -28.56 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 38.5 t -52.41 145.82 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -115.09 -25.92 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -51.97 -55.57 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 60.56 -123.65 33.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.4 m 53.07 68.97 2.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -6.78 19.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 66.32 39.12 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -85.47 140.0 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.38 32.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.77 58.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.56 80.01 9.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 111.172 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -166.91 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -10.17 59.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.65 -13.03 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.59 -29.69 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -49.57 72.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.51 -31.0 70.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 60.9 mmm -68.53 -54.29 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.1 -44.75 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.37 -37.63 90.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.37 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.56 -48.13 83.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.59 -49.01 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 74.9 mt -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.65 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.86 -44.96 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.32 -36.45 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.22 -45.32 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.36 86.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.65 -51.08 68.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.19 -52.05 53.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 47.5 mt -57.56 -42.43 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.89 66.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt -68.63 -34.1 75.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -66.74 -51.17 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 58.2 mtm -60.42 -38.18 83.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -58.63 -36.23 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.72 39.35 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.27 125.49 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -145.27 168.42 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 2.7 pp -68.16 -12.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.54 -30.13 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.01 136.74 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -130.7 136.54 48.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.4 131.74 2.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.73 68.51 80.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.21 13.55 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.67 27.56 16.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -76.92 169.92 17.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 93.74 -175.06 35.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.68 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.23 146.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 67.0 mt 54.05 74.15 0.8 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.658 0.742 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.02 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -11.52 60.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.08 -15.25 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.2 -32.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.6 m -53.06 -48.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.01 -32.82 69.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 55.6 mmm -63.46 -54.0 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.96 -44.84 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -66.32 -37.44 92.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.09 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.57 -47.69 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 51.9 mt -65.4 -47.0 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.9 -39.82 93.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.8 -52.11 67.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.28 -44.29 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.96 -36.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.16 -46.58 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.24 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 30.8 mt -58.48 -50.29 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -48.41 71.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.3 mt -57.9 -46.3 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.15 -46.41 85.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.06 -30.7 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.44 -51.27 37.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 50.5 mtm -61.24 -52.22 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -65.08 -39.88 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.29 94.18 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.79 119.68 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.92 171.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.23 -69.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 16.6 m -147.87 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -106.41 -32.46 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -65.43 143.49 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -109.21 -56.65 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 10.3 m 52.26 68.19 3.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.13 13.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.75 27.16 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.71 -27.16 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 73.58 75.4 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.82 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -91.05 1.45 57.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 27.6 mt -144.22 73.82 15.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -10.26 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.26 -14.8 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.99 17.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.2 m -50.71 -47.41 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.48 65.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 66.8 mmm -63.98 -53.31 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -43.78 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.48 -37.11 89.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -41.21 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.46 -48.07 82.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.57 -45.89 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.87 -40.15 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.53 -52.36 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.51 -43.09 79.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.25 -36.28 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.4 -44.54 90.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.16 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.88 -50.34 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.38 64.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 31.2 mt -60.44 -44.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.99 -49.18 63.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.6 -35.83 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -63.6 -50.6 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 50.4 mtm -63.92 -36.35 83.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 51.41 49.15 21.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -156.08 132.08 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -97.87 -67.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 31.0 mm -136.05 121.42 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 71.2 t -53.12 126.03 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -52.05 -31.3 29.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -85.32 51.65 4.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 49.2 t -137.03 70.78 56.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.9 m 66.55 41.09 3.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.42 118.22 31.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 130.84 171.55 12.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 88.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -113.67 -23.04 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 58.5 mt 50.26 70.31 2.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.45 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -10.14 59.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 39.8 mt -67.17 -11.63 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.76 -29.82 29.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 2.1 m -55.02 -48.89 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.78 79.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.3 mmm -66.03 -48.62 70.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.4 -45.44 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.78 -40.87 98.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.24 -47.2 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.16 -48.17 76.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.81 -48.93 76.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 37.8 mt -59.45 -39.97 85.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.13 -52.27 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.88 -36.8 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 77.5 t -64.9 -45.22 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.82 84.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 19.6 mt -55.41 -50.38 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.59 -53.4 46.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 70.7 mt -56.88 -38.94 61.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.61 -51.71 57.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.49 -31.6 72.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -73.27 -51.38 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 56.9 mtm -57.77 -31.05 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -56.03 -24.99 42.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -146.94 109.17 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -136.51 132.39 35.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -123.1 174.31 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mp -109.87 111.21 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 138.99 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -119.17 176.44 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -113.1 177.77 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 173.8 124.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.3 m 59.68 70.25 1.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -29.71 23.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.9 p -64.82 -28.33 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -93.23 152.6 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.92 71.9 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.403 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -139.2 116.96 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 31.0 mt -142.29 69.41 22.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -10.4 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.41 -11.64 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.46 -29.56 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 32.2 m -55.22 -49.14 72.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.95 82.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 55.0 mmm -66.11 -47.42 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 93.3 t -60.15 -44.68 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.53 -40.77 99.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.96 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.45 -48.6 76.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.14 -48.92 77.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 34.6 mt -59.64 -40.67 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.24 -52.36 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.05 -45.41 79.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.28 -36.66 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.07 -49.63 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -56.59 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.05 -50.92 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -62.88 -53.78 38.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 93.2 mt -53.97 -39.62 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.89 -50.02 69.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.46 -28.98 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -76.22 -52.04 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 52.4 mtm -54.98 -52.91 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -74.46 -47.83 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 47.75 31.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -167.89 -178.16 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -162.08 137.23 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.2 tt -83.98 104.1 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.69 148.1 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.27 154.33 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.61 161.6 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 128.66 72.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.0 t -175.06 73.21 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.4 p 60.75 29.08 18.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -51.46 144.76 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 166.04 76.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.52 34.24 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -171.13 142.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.6 mt -118.16 71.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -167.52 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 0.0 112.299 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.32 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 48.7 mt -65.8 -13.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.17 -32.43 36.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.5 m -52.72 -48.97 66.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.75 -37.71 84.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.1 mmm -64.4 -48.32 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.334 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.52 -46.7 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.34 97.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.69 62.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.6 mt -60.32 -47.84 84.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.84 -46.02 89.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.63 -38.28 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.75 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.6 -41.78 86.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.19 -35.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.91 -43.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.44 -50.19 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.97 -49.56 66.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 27.2 mt -57.38 -44.14 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.16 -52.19 52.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.24 -33.98 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -67.17 -50.88 59.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 52.7 mtm -62.14 -31.57 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -28.88 67.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -55.24 -25.94 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -167.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.14 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.1 tt -62.24 98.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.91 137.18 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 -90.22 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.13 109.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -170.41 -128.45 1.02 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.9 m -118.42 68.07 7.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -20.81 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 70.0 p -54.38 -32.91 58.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -117.14 155.19 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.42 74.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 107.68 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -142.69 125.36 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 27.3 mt -129.11 70.86 81.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -169.1 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -12.01 60.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 4.7 mp -66.58 -14.62 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.45 -32.1 25.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -53.09 -48.98 67.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.63 -37.58 85.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 73.5 mmm -64.18 -48.14 77.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.83 -47.11 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.24 96.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.427 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.13 61.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.47 -47.75 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.18 -46.5 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.19 -38.49 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 21.7 mt -58.24 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.54 -42.1 87.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.02 -35.77 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.78 -43.68 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.42 -44.95 95.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.54 -50.12 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.22 66.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 34.7 mt -58.29 -43.62 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.92 60.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.547 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.74 -34.3 76.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -66.61 -51.26 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 53.2 mtm -61.04 -35.81 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -63.16 -36.62 84.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 52.12 58.45 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -128.23 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -156.99 107.64 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 46.4 mt -136.02 125.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.82 122.38 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -136.84 174.24 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -102.92 -25.59 13.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -134.7 73.89 0.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 6.3 p -165.81 69.18 1.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -4.2 13.52 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.728 2.285 . . . . 0.0 112.291 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.99 26.85 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -121.66 113.21 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -162.16 73.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 121.65 8.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -153.19 122.63 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.9 mt -142.87 70.7 19.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.83 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -10.22 59.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.28 -12.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.5 -31.64 24.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 3.7 m -53.08 -49.96 65.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.0 -37.56 87.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.0 mmm -64.57 -47.13 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.9 -46.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.54 98.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.36 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.68 -47.83 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.0 -46.25 90.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.37 -37.64 88.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.44 -42.04 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.88 -35.88 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.91 -44.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.96 92.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.95 -50.52 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.29 -48.88 66.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 27.7 mt -58.04 -45.21 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.78 -51.7 53.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt -68.08 -34.94 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.03 -51.18 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 54.3 mtm -60.75 -38.04 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -62.98 -29.34 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -119.14 94.62 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -146.54 137.32 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -79.67 108.63 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 28.7 mm -130.18 122.22 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.68 149.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -118.19 163.1 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -92.05 160.71 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -114.76 41.41 2.18 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 49.0 t -155.92 70.39 5.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.04 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 90.8 m -160.63 87.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -60.68 -46.07 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.56 20.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.36 19.07 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -151.6 110.76 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.66 72.4 30.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.57 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.42 -12.24 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 29.8 mm -66.68 -12.38 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.66 -31.78 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 m -53.26 -49.74 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.19 -37.36 86.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 70.2 mmm -64.44 -47.11 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.44 -46.83 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.23 98.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.87 -45.68 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.62 -47.86 82.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.93 -46.41 89.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.31 -37.77 88.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.19 -52.02 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.55 -42.29 87.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.93 -35.75 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.75 -44.07 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.9 -45.74 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.48 -50.34 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -48.37 77.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 37.8 mt -57.6 -44.35 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.87 -50.87 61.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.99 -31.91 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -69.47 -51.5 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 55.4 mtm -57.73 -44.29 85.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -47.79 57.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 43.01 37.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -158.13 179.44 9.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 9.1 m170 61.24 50.93 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 59.2 mt -92.43 -43.75 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.21 177.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -156.59 139.41 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -58.26 -59.29 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 137.84 70.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 67.1 m 55.63 74.42 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.92 1.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -170.08 87.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -113.13 144.65 42.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.53 169.59 35.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 123.99 10.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.51 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.68 69.18 79.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 111.159 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -167.25 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -11.12 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 41.0 mt -66.43 -12.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.69 -32.09 28.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 8.5 m -52.7 -49.17 65.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.69 -38.07 85.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 82.5 mmm -64.21 -48.6 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.07 -47.03 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.49 97.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.28 -46.91 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.46 -47.69 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.48 -46.87 86.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.28 -38.17 88.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.46 -52.1 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.46 -43.23 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.22 -35.83 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.25 -43.04 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.62 92.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 22.8 mt -58.29 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.93 -44.36 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.54 -49.18 71.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt -70.85 -33.73 70.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -66.12 -51.47 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 54.8 mtm -59.47 -51.22 70.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -63.44 -33.1 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 58.25 52.73 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -100.27 113.61 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -150.05 176.51 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 81.3 mt -94.65 104.23 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 41.1 t -104.23 -33.57 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -59.9 129.7 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.0 132.97 40.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 106.7 -121.56 6.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.69 156.38 71.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.95 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m 50.76 39.41 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -84.44 117.23 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 151.51 68.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.15 111.96 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 72.35 35.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.632 0.729 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -167.56 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -14.07 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.77 -13.46 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.34 -32.28 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.2 -48.7 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.64 -37.85 85.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 63.4 mmm -64.56 -46.54 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.55 -47.28 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.8 97.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.36 -46.19 56.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.98 -47.52 80.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.96 -46.31 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.55 -38.92 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.85 -52.03 67.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.3 -43.0 82.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.86 -36.05 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.72 -44.9 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.68 -44.74 96.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.25 -51.34 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.34 66.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 58.8 mt -56.46 -44.49 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.56 71.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt -70.15 -33.45 71.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.88 -51.72 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 52.2 mtm -59.77 -43.49 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -24.82 60.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.02 -39.1 83.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -80.19 -75.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -127.19 146.47 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.76 114.11 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.55 140.67 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -143.03 171.59 13.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -138.85 135.83 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 119.46 156.35 10.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.2 t 57.14 74.15 0.7 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.652 0.739 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -47.28 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.83 86.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -111.28 119.58 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.09 69.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 128.6 16.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -157.53 131.98 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 43.1 mt -131.97 68.33 80.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -12.17 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 4.8 mp -67.05 -14.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.9 -32.05 30.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -53.42 -49.93 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.61 85.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 68.4 mmm -65.68 -49.14 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.01 -46.02 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.83 -40.32 98.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.09 -46.0 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.1 mt -55.87 -47.57 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.08 -47.43 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.53 -39.5 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.4 mt -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.91 -44.98 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.96 -37.05 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.28 -47.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.59 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 21.3 mt -56.36 -50.98 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.47 42.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 90.0 mt -57.42 -36.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.32 -50.95 61.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.52 -31.19 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -75.81 -51.69 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 50.0 mtm -55.65 -31.26 62.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -55.51 -47.1 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.14 38.73 2.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -128.4 130.69 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.12 175.47 5.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 32.2 mm -137.78 126.03 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 62.3 t -104.97 139.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -95.85 128.98 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 138.29 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -65.9 -172.06 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.86 71.83 80.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 5.1 m -54.21 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.22 127.55 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.09 42.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -144.04 106.96 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 19.5 mm -115.44 69.99 2.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -169.58 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -10.1 59.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 31.8 mm -66.86 -12.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -54.08 -31.05 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 43.1 m -54.43 -49.54 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.05 -36.88 86.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 52.3 mmm -65.53 -48.94 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.47 -46.25 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.72 -40.59 98.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.45 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.4 mt -56.49 -47.58 78.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.97 -47.35 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.67 -40.24 91.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 24.6 mt -58.34 -51.92 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.06 -44.97 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 91.0 t -62.05 -36.42 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 80.0 t -64.03 -49.46 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -57.41 -44.96 85.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.26 -50.89 70.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -62.54 -54.58 33.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 81.4 mt -56.42 -36.59 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.11 59.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 30.0 mt -62.32 -30.36 71.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -76.27 -50.53 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 50.2 mtm -60.44 -52.47 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -72.78 -48.41 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 48.74 27.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -157.46 -176.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -79.92 172.46 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.2 tt -92.77 106.34 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.1 112.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -115.47 -32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -63.33 170.6 2.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 101.08 -121.82 7.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 7.4 m 59.39 71.19 0.97 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.691 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -4.39 13.92 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.95 27.19 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -53.05 147.87 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 133.73 70.42 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 121.94 8.63 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -131.61 118.35 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.79 70.36 73.01 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -168.8 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.334 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.98 -12.94 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 4.8 mp -67.44 -13.59 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.39 -30.04 27.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.8 m -55.12 -48.47 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.35 -36.13 77.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.4 mmm -65.92 -46.86 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.09 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.97 -40.11 96.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.1 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.93 -47.93 76.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.35 -46.33 89.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 31.5 mt -62.86 -37.62 87.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.88 -52.09 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.13 -41.71 84.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.26 -36.0 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.93 -43.53 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.18 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 28.1 mt -59.24 -50.55 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.45 65.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 28.0 mt -57.19 -45.34 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.22 -50.32 62.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.18 -34.61 75.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.54 -51.14 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 52.1 mtm -61.43 -38.02 85.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -36.29 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -116.52 94.67 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -138.97 135.03 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -86.7 159.98 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.1 pp -143.91 153.09 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.0 150.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.9 168.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -112.8 177.61 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 156.37 49.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.4 p -162.02 156.55 19.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 78.55 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.658 2.238 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 11.9 p 50.05 40.0 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -101.53 157.12 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.7 -176.06 23.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.65 6.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.282 . . . . 0.0 112.35 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -43.75 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.0 68.36 75.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.07 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -9.99 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 40.3 mt -67.45 -11.96 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.18 -28.37 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.6 m -56.0 -49.13 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.99 75.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 71.5 mmm -66.28 -48.93 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 63.8 t -59.7 -45.95 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.19 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.37 -44.26 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.7 -47.77 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.52 -47.3 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.62 -37.44 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.63 -52.29 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.98 -42.46 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.49 -35.99 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 79.2 t -65.73 -43.9 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 28.3 mt -59.62 -50.4 74.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.95 -49.2 68.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 29.6 mt -57.69 -44.36 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.916 0.388 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.98 -50.58 63.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 24.2 mt -68.42 -34.24 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -66.67 -51.12 59.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 53.2 mtm -60.94 -36.89 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -46.17 84.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.58 34.93 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -152.43 141.24 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -157.57 90.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.02 118.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 3.2 p -105.54 112.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -159.93 176.29 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -64.17 155.06 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.18 4.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.99 70.71 60.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -15.11 36.98 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 6.7 m -52.43 -61.23 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -104.18 162.94 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 156.26 67.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.67 36.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -159.36 129.7 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.85 69.25 81.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.709 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.0 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.53 -9.85 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 41.1 mt -68.22 -10.97 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -55.3 -28.06 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 2.4 m -55.92 -49.09 74.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.38 -35.68 69.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 64.6 mmm -66.59 -45.9 77.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.84 -44.99 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.55 -40.76 99.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.22 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.39 -48.16 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.39 -46.97 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.9 -38.21 84.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.6 -52.15 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.9 -44.68 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.6 -36.79 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.96 -43.22 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.66 -49.04 76.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.11 -51.7 57.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.89 -38.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -60.51 -51.85 56.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.78 -30.83 71.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -75.98 -51.78 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 59.9 mtm -55.59 -30.29 60.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -34.25 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 107.56 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -107.03 -34.69 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -109.76 173.49 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.23 -64.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.2 m -104.0 177.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.97 -34.16 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.12 166.12 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 177.15 -114.74 0.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 17.1 t -161.51 73.41 2.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 36.4 m -160.41 79.77 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -99.81 116.05 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -171.9 178.1 44.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.49 35.53 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -135.93 122.05 20.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 32.7 mt -129.17 68.0 79.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -12.31 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 4.3 mp -68.3 -13.24 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -54.78 -29.84 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 6.8 m -54.91 -49.47 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.64 -37.34 84.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 57.3 mmm -65.89 -45.16 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.85 -43.83 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.05 99.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.35 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.61 -47.69 79.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.0 mt -62.62 -48.29 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.31 -40.26 89.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 23.9 mt -57.87 -52.0 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.47 -44.8 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.07 -36.05 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.17 -48.21 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.17 -51.14 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.52 58.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 90.7 mt -57.71 -38.06 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.81 -50.46 65.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 30.0 mt -65.53 -29.14 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.5 -51.45 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 54.0 mtm -54.8 -53.22 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.82 -49.51 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 31.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -155.92 -176.85 6.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -84.27 140.9 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.43 112.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.98 122.98 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -104.75 -37.17 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -52.3 -56.72 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.916 0.388 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 152.06 116.15 0.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 41.9 t 53.04 71.12 1.52 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -48.5 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.62 92.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -152.57 148.07 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 104.29 72.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.87 5.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -128.83 117.28 20.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.8 mt -133.27 74.34 72.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.17 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -10.29 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.19 -15.12 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -48.45 -34.33 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 10.4 m -52.18 -51.19 59.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.67 -33.65 85.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.76 -52.36 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.19 -44.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.23 -37.84 95.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.05 -46.16 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.15 -48.14 82.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.23 -38.86 92.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.04 -52.31 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.95 -40.98 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.19 -35.75 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.96 -44.13 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.92 -45.36 94.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.36 -50.53 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -49.58 68.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 34.8 mt -57.12 -43.87 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.46 -51.14 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.56 -33.96 75.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.68 -51.52 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 55.4 mtm -59.4 -41.06 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -60.98 -26.27 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -121.82 96.09 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -136.16 133.93 37.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -83.41 171.19 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 32.0 mm -117.32 110.49 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.64 152.13 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.25 -33.41 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -60.63 149.48 34.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.99 152.12 18.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 21.0 t -118.38 69.2 7.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -25.25 28.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 15.0 t -58.43 -30.0 66.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -81.3 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 135.41 -170.06 23.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.53 60.71 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.353 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -162.04 127.0 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 32.0 mt -139.94 72.53 34.33 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -169.44 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 4.4 mp -65.59 -15.23 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -48.59 -32.94 8.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.4 m -52.32 -51.59 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.85 -34.28 86.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 77.5 mmm -62.47 -52.77 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.54 -44.84 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.58 95.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.62 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.52 -48.24 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.7 -46.88 87.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.84 -38.91 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.89 -52.35 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.65 -41.35 90.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.96 -35.74 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.74 -44.4 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.99 95.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.72 -50.52 73.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.82 -49.97 67.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 47.2 mt -57.06 -42.93 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.11 -51.88 55.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.41 -33.54 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.5 -51.62 48.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 55.1 mtm -59.4 -40.39 86.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -36.58 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 51.72 57.93 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -126.92 125.86 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -159.46 177.51 10.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 65.9 mt -128.65 110.82 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 57.5 t -111.27 128.13 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -93.43 -50.4 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -54.68 172.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -111.92 -122.09 4.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 24.4 t -146.84 69.17 12.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -6.63 19.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 m 66.08 39.4 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -52.8 136.19 34.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -133.75 -168.45 11.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 111.39 2.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -128.63 114.87 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.2 mt -139.72 71.61 36.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -167.97 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -10.05 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.99 -10.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.88 -26.88 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -47.31 81.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -72.17 -35.52 60.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 45.8 mmm -67.44 -46.46 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.63 -43.98 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.3 98.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.88 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.7 mt -55.92 -48.02 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.27 -47.21 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 37.2 mt -60.68 -39.99 90.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.54 -52.25 66.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.01 -45.38 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.18 -36.29 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 78.6 t -64.82 -44.63 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.7 89.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 24.2 mt -57.99 -50.27 73.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.21 -51.26 58.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 43.7 mt -55.31 -44.27 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.43 -49.82 69.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.92 -32.48 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -68.77 -51.74 37.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 53.2 mtm -59.71 -39.02 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -73.49 -25.11 60.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -120.26 94.87 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -138.69 132.51 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -53.88 106.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.03 113.09 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.43 147.64 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -77.53 169.43 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -124.83 144.77 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.922 0.391 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.36 -133.67 3.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.86 73.73 5.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.94 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 10.1 t 37.37 43.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -128.56 118.89 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -95.46 164.11 24.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -175.01 150.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 58.0 mt 61.01 69.75 1.03 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.732 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -9.73 58.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.68 -11.66 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.67 -29.29 37.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.9 m -54.52 -47.66 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.47 -38.09 62.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 54.3 mmm -64.19 -44.67 91.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.46 -45.44 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.81 97.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.43 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.5 -47.65 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.19 -46.69 85.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.55 -39.15 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.28 -51.98 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.6 -43.77 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.59 -36.28 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.3 -42.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.28 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.74 -48.0 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -58.33 -51.01 61.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 31.8 mt -57.03 -41.04 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.49 -51.57 58.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.533 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.46 -31.9 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -73.41 -51.7 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 56.2 mtm -57.64 -30.45 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -55.54 -25.47 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -62.35 -17.53 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -138.76 -177.9 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -79.25 148.97 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 28.5 mm -138.79 129.09 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.22 146.27 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -166.27 163.75 17.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -94.82 -68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 110.93 -116.2 4.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 7.8 t -173.62 68.11 0.34 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -6.72 19.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.22 39.68 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -51.68 165.25 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -111.08 -166.63 18.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 161.86 44.3 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -167.91 139.99 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.7 mt -123.48 69.41 42.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -167.69 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.33 -9.91 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.05 -12.24 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.69 -31.2 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.0 m -53.71 -49.74 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.16 -36.89 86.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 93.1 mmm -65.74 -46.77 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.3 t -60.1 -46.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.91 98.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.27 -45.69 59.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.02 -47.89 79.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.7 -47.07 85.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.93 -38.43 88.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.33 -51.97 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.26 -43.69 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.79 -35.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.59 -44.41 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.43 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.39 -51.57 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.72 -50.59 62.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 58.8 mt -56.83 -44.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.44 -50.93 59.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.38 -34.34 74.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.45 -51.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 54.8 mtm -59.27 -44.09 92.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -66.78 -27.63 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -145.86 98.18 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.74 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -107.71 100.38 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.1 tt -90.01 108.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.8 139.3 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -81.43 -70.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.69 145.1 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 170.93 92.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.2 t 56.42 73.82 0.77 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.63 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 t -168.25 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -56.62 130.59 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 110.22 78.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -142.49 111.07 6.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 59.5 mt 51.13 70.21 2.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -168.26 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.751 2.301 . . . . 0.0 112.364 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -10.23 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 42.0 mt -66.33 -12.65 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.83 -30.98 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.1 m -53.97 -49.47 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.28 -37.69 86.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 56.1 mmm -65.05 -47.34 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.9 t -59.64 -46.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.68 98.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.16 -46.04 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 20.7 mt -56.41 -47.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 68.6 mt -63.11 -46.44 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.22 -38.05 87.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.99 -51.89 67.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.17 -42.72 81.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.75 -36.29 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.94 -44.44 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.42 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.92 -51.43 69.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.32 58.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.91 -43.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.03 -51.66 56.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.4 mt -68.35 -34.85 76.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.57 -51.69 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 55.7 mtm -58.74 -41.94 87.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -72.23 -24.41 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.8 ttm-85 -58.33 -22.1 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -144.94 -177.45 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -77.23 161.9 27.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.1 pp -144.24 153.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.31 -178.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -136.34 128.35 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -142.85 126.46 16.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -91.75 77.88 1.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 89.7 m 58.22 69.23 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.49 32.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 31.1 m -66.85 -28.11 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -112.99 100.86 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 158.61 -76.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 78.03 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 121.36 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 63.8 mt 51.12 73.0 1.05 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -169.29 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -11.35 60.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.64 -14.31 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.02 -30.86 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 21.6 m -54.72 -49.84 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.81 73.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 41.9 mmm -65.29 -54.05 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.25 -41.63 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.34 -36.48 78.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.67 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.7 -48.89 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.73 -47.56 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.0 -43.9 98.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.06 -52.24 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -55.59 -45.68 77.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.26 -36.13 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.31 -45.45 93.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.82 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 24.9 mt -58.39 -50.79 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.82 61.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.9 -40.88 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.29 86.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.12 -32.74 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -67.83 -51.12 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 51.1 mtm -62.66 -46.97 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -44.71 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -144.57 100.65 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 33.2 ttt-85 -99.29 112.23 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -126.11 106.69 9.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 34.3 mm -135.48 127.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.73 144.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.17 150.03 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 170.67 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 107.83 128.94 5.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 35.0 t -118.54 68.2 7.73 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -6.71 19.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.315 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 66.13 38.97 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -64.41 134.79 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -91.86 -177.35 42.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.73 62.67 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 -17.79 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 20.1 mm -113.24 74.25 1.95 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -168.38 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -10.24 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 1.5 tp -64.82 -14.78 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -48.81 -34.97 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.4 m -51.04 -48.73 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.64 -32.95 71.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 55.6 mmm -64.99 -53.97 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 30.3 t -60.09 -42.32 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.32 -35.99 77.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.92 -41.09 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.17 -48.79 78.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.69 -45.65 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.61 -41.87 99.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.33 -52.35 65.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -55.71 -44.44 77.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.13 -36.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 70.3 t -66.13 -42.62 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.31 -49.02 77.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 24.3 mt -58.71 -48.05 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.9 -50.45 65.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 32.4 mt -59.16 -39.24 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.892 0.377 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.53 -51.8 56.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 41.6 mt -63.03 -32.26 73.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -73.49 -51.42 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 61.6 mtm -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -56.36 -45.06 80.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -55.31 33.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 62.69 21.49 12.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -170.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 24.7 mm -119.66 110.74 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.05 -19.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -51.9 -40.2 60.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -52.74 -44.88 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 52.61 -167.63 0.97 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 47.6 t -167.57 68.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.738 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 10.1 t 37.47 43.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -121.13 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 163.65 -167.85 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.42 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 111.94 2.94 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -105.16 12.15 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 58.4 mt 50.39 70.63 1.91 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.73 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.29 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -9.78 59.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 38.1 mt -68.16 -11.45 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -54.74 -29.01 52.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -55.03 -48.42 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.2 mmm -65.06 -44.7 88.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -45.04 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.38 -41.42 96.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.39 62.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.1 mt -59.66 -48.36 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.51 -47.72 80.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.17 -38.41 88.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.46 -52.29 66.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.28 -41.21 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.22 -36.23 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.25 -44.7 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.98 87.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.74 -50.15 74.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.61 65.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.2 mt -58.0 -46.97 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.8 -49.16 62.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.58 -35.19 72.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -63.9 -50.91 66.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 49.6 mtm -63.1 -38.67 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -71.32 -25.14 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -111.68 92.05 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.7 138.59 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 68.3 m170 -56.17 133.09 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.11 113.6 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.24 145.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -90.96 165.83 13.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 -30.56 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -129.86 -116.07 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 95.4 m 53.49 72.73 1.06 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.714 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 92.27 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.4 m 59.34 53.38 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -109.87 137.99 46.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 106.35 70.21 0.75 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 147.12 61.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -87.93 -48.0 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 56.7 mt 49.77 68.68 3.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.35 -12.69 60.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.95 -13.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.78 -29.22 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.4 m -55.33 -47.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.36 -37.69 70.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 63.4 mmm -65.17 -42.78 93.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.95 -45.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.5 97.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.02 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.05 -48.05 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.33 -48.31 78.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.64 -39.31 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 20.8 mt -57.56 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.95 -42.26 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.68 -36.18 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.82 -44.74 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -62.04 -46.42 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 29.4 mt -59.71 -50.32 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.82 -49.03 63.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.61 -46.92 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -50.09 59.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.47 -36.28 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.9 -51.17 67.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 49.8 mtm -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -71.71 -25.75 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 ttm-85 -75.22 -7.25 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -117.18 -174.86 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -80.61 -1.65 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 50.5 mm -59.79 96.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.34 151.96 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -73.29 -69.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -58.04 178.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.48 -22.05 25.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.16 160.35 71.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.656 0.741 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 80.15 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 17.2 p 49.59 45.45 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.43 173.27 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.42 75.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.88 2.18 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -113.72 -19.68 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 63.2 mt 51.44 74.97 0.71 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.24 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.24 -11.04 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.66 -18.33 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.66 -36.83 26.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 11.7 m -50.04 -46.24 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.39 64.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.534 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 56.8 mmm -64.46 -53.72 43.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 43.2 t -61.1 -43.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.28 -36.33 84.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.0 -40.52 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.86 -48.56 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.89 -46.62 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 41.4 mt -62.32 -42.86 99.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.67 -52.48 63.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.87 -45.62 78.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.24 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 73.2 t -66.0 -45.26 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.2 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.55 -50.62 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.95 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 69.9 mt -54.61 -41.93 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.06 -52.09 54.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.72 -34.25 77.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.64 -50.94 55.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 53.3 mtm -61.38 -31.43 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -45.49 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.42 83.4 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -102.68 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -51.69 103.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.61 -29.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.89 137.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -167.16 155.38 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -60.45 143.42 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 136.05 -23.19 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.85 160.51 58.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.82 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 3.0 m 54.12 36.46 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -135.48 155.83 49.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 146.7 70.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.67 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -96.48 -37.97 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 63.4 mt 50.77 72.26 1.29 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -168.29 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -10.64 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 7.3 tt -63.04 -15.92 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.64 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.3 m -50.95 -47.59 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.41 -32.13 68.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 54.1 mmm -65.03 -54.02 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.46 -42.47 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.61 81.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.67 -41.12 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.73 -49.01 78.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.48 -47.04 80.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 28.4 mt -61.87 -43.45 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 20.1 mt -55.09 -52.48 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.98 -44.97 79.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.69 -36.32 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 74.0 t -66.08 -44.25 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.34 82.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.58 -50.83 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.58 -53.37 45.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.58 -38.13 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.88 -50.47 67.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 25.4 mt -67.4 -32.75 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -69.71 -51.32 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 62.9 mtm -56.35 -51.92 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -65.15 -46.62 80.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.79 32.32 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -136.43 133.08 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -110.25 177.93 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 10.3 tt -59.4 -27.26 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 5.4 t 63.54 46.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -72.02 -63.47 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -98.75 142.48 30.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.2 mmm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.85 -43.76 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.96 -37.49 87.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.61 -39.68 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.736 HD23 HD23 ' B' ' 654' ' ' LEU . 21.3 mt -61.7 -48.11 82.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 659' ' ' VAL . 50.4 mt -65.51 -46.35 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 660' ' ' VAL . 39.0 mt -62.43 -40.41 96.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.869 HD22 HD11 ' B' ' 658' ' ' LEU . 18.6 mt -58.43 -52.03 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.867 HD11 HD22 ' B' ' 657' ' ' LEU . 19.4 mt -56.38 -44.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 655' ' ' LEU . 95.2 t -63.43 -36.18 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 656' ' ' LEU . 69.1 t -66.12 -44.81 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.762 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -60.48 -47.88 84.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.768 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.2 mt -58.66 -50.48 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.02 65.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.33 -43.69 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.47 -49.29 70.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.937 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.85 87.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.1 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 654' ' ' LEU . 21.4 mt -61.49 -48.44 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 659' ' ' VAL . 97.7 mt -65.48 -46.87 78.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.705 ' O ' HG23 ' B' ' 660' ' ' VAL . 30.7 mt -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.867 HD22 HD11 ' A' ' 658' ' ' LEU . 18.5 mt -58.99 -51.86 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 657' ' ' LEU . 19.3 mt -56.27 -43.77 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 655' ' ' LEU . 62.2 t -63.87 -36.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 656' ' ' LEU . 68.9 t -65.91 -44.92 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.768 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.43 -47.56 85.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.762 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 73.8 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.75 -44.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.86 98.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.4 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.617 HD23 HD23 ' B' ' 654' ' ' LEU . 20.9 mt -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 659' ' ' VAL . 68.0 mt -62.75 -47.2 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.703 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.2 mt -62.79 -37.11 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.597 HD22 HD11 ' B' ' 658' ' ' LEU . 24.5 mt -59.74 -52.3 66.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.619 HD11 HD22 ' B' ' 657' ' ' LEU . 18.8 mt -58.65 -40.72 84.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.8 t -64.62 -35.99 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 656' ' ' LEU . 70.5 t -66.21 -44.41 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.36 -45.88 92.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.756 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.6 mt -60.67 -50.35 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.4 -47.9 66.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.71 -47.09 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -49.11 62.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.915 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.876 0.369 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.1 -41.25 97.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.17 -45.05 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.617 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -59.23 -47.73 84.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.6 mt -63.54 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 660' ' ' VAL . 35.2 mt -63.4 -37.3 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 658' ' ' LEU . 23.2 mt -59.76 -52.38 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.597 HD11 HD22 ' A' ' 657' ' ' LEU . 18.4 mt -58.61 -40.74 84.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 655' ' ' LEU . 91.2 t -64.65 -35.96 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 656' ' ' LEU . 72.0 t -66.2 -44.22 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -61.57 -45.95 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.754 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 30.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.9 mmm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.51 -45.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.77 99.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.65 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.583 HD23 HD23 ' B' ' 654' ' ' LEU . 21.4 mt -61.5 -48.04 82.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.3 mt -64.43 -46.25 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 660' ' ' VAL . 30.6 mt -63.36 -39.4 94.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.783 HD22 HD11 ' B' ' 658' ' ' LEU . 18.9 mt -58.19 -52.4 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.823 HD11 HD22 ' B' ' 657' ' ' LEU . 17.9 mt -58.69 -39.35 80.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 655' ' ' LEU . 63.1 t -66.62 -35.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.6 t -65.92 -44.24 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -62.69 -43.88 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.694 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.9 mt -59.56 -49.81 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.4 87.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ILE . . . . . 0.41 HD11 HG12 ' A' ' 660' ' ' VAL . 23.7 mt -56.37 -50.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.37 -49.43 60.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.868 0.366 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.31 -40.44 98.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.21 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.583 HD23 HD23 ' A' ' 654' ' ' LEU . 21.3 mt -62.13 -47.84 82.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.658 ' O ' HG23 ' B' ' 659' ' ' VAL . 70.8 mt -64.38 -45.77 86.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.711 ' O ' HG23 ' B' ' 660' ' ' VAL . 25.7 mt -64.08 -39.78 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.823 HD22 HD11 ' A' ' 658' ' ' LEU . 18.1 mt -57.71 -52.53 65.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.783 HD11 HD22 ' A' ' 657' ' ' LEU . 18.0 mt -58.75 -40.08 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 655' ' ' LEU . 98.4 t -66.02 -36.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 656' ' ' LEU . 72.4 t -65.77 -43.78 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -62.37 -45.96 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.708 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 23.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.6 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.82 -45.75 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.45 97.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.4 -47.28 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.673 HD23 HD23 ' B' ' 654' ' ' LEU . 21.4 mt -56.04 -47.4 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 mt -62.94 -47.52 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.7 mt -61.36 -39.28 90.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.64 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.03 -43.7 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 655' ' ' LEU . 47.6 t -63.49 -36.15 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 656' ' ' LEU . 77.7 t -65.07 -44.61 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.797 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.36 -45.96 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.793 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.2 mt -58.09 -50.79 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.2 -51.3 58.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.72 -43.91 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.21 -50.99 60.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.908 0.385 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.6 97.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.99 53.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.673 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -56.13 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.625 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.9 mt -62.64 -46.65 87.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.5 mt -62.3 -38.63 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.423 ' CD1' HD22 ' A' ' 654' ' ' LEU . 27.1 mt -59.16 -51.87 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.67 -42.45 83.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 655' ' ' LEU . 57.8 t -64.26 -36.05 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 656' ' ' LEU . 77.8 t -65.86 -42.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.793 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -63.29 -46.84 84.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.797 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 25.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.2 mmm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.21 -42.02 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.88 99.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.4 56.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.726 HD23 HD23 ' B' ' 654' ' ' LEU . 21.3 mt -55.85 -48.44 75.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 659' ' ' VAL . 67.7 mt -63.21 -48.16 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 660' ' ' VAL . 39.5 mt -59.94 -40.68 89.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' B' ' 654' ' ' LEU . 27.7 mt -57.61 -52.1 66.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.6 -42.64 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.8 t -65.89 -36.38 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 656' ' ' LEU . 71.3 t -64.72 -42.03 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.818 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -64.34 -47.11 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.802 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.6 mt -60.52 -48.74 80.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.15 -50.45 55.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.95 -42.63 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.45 -50.9 57.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.942 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.811 0.339 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.85 99.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.65 -46.14 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 654' ' ' LEU . 21.1 mt -56.44 -48.26 77.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 659' ' ' VAL . 66.6 mt -63.14 -48.01 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' B' ' 660' ' ' VAL . 43.2 mt -60.24 -40.83 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.429 ' CD1' HD22 ' A' ' 654' ' ' LEU . 27.2 mt -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.444 HD11 HD22 ' A' ' 657' ' ' LEU . 20.4 mt -56.54 -44.17 80.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 655' ' ' LEU . 57.5 t -64.67 -36.32 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.1 t -63.75 -44.7 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.802 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.38 -46.81 86.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.818 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 24.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.29 -42.61 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.67 -38.03 85.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.47 69.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.731 HD23 HD23 ' B' ' 654' ' ' LEU . 22.4 mt -60.47 -48.22 82.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 659' ' ' VAL . 25.7 mt -65.15 -48.44 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 660' ' ' VAL . 51.0 mt -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.63 HD22 HD11 ' B' ' 658' ' ' LEU . 19.4 mt -58.89 -51.92 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.621 HD11 HD22 ' B' ' 657' ' ' LEU . 19.9 mt -55.92 -45.13 78.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 655' ' ' LEU . 62.0 t -62.61 -36.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 656' ' ' LEU . 70.2 t -65.8 -46.64 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.767 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -58.35 -48.28 81.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.783 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.0 mt -55.46 -51.46 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.39 -52.02 52.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.3 -42.77 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.13 67.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.37 -37.63 90.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.37 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.731 HD23 HD23 ' A' ' 654' ' ' LEU . 21.7 mt -60.56 -48.13 83.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 659' ' ' VAL . 23.1 mt -64.59 -49.01 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 660' ' ' VAL . 74.9 mt -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 658' ' ' LEU . 19.0 mt -57.65 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 657' ' ' LEU . 19.3 mt -55.86 -44.96 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 655' ' ' LEU . 60.2 t -63.32 -36.45 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.0 t -65.22 -45.32 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.783 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.21 -47.36 86.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.767 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 55.6 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.96 -44.84 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -66.32 -37.44 92.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.09 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.732 HD23 HD23 ' B' ' 654' ' ' LEU . 22.3 mt -61.57 -47.69 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 659' ' ' VAL . 51.9 mt -65.4 -47.0 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.695 ' O ' HG23 ' A' ' 660' ' ' VAL . 29.9 mt -61.9 -39.82 93.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.74 HD22 HD11 ' B' ' 658' ' ' LEU . 19.5 mt -58.8 -52.11 67.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.891 HD11 HD22 ' B' ' 657' ' ' LEU . 20.8 mt -56.28 -44.29 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 655' ' ' LEU . 69.8 t -62.96 -36.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 656' ' ' LEU . 76.4 t -65.16 -46.58 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.775 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -59.59 -48.24 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.729 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.8 mt -58.48 -50.29 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -48.41 71.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ILE . . . . . 0.463 HD11 HG12 ' A' ' 660' ' ' VAL . 22.3 mt -57.9 -46.3 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.15 -46.41 85.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.941 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.904 0.383 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.48 -37.11 89.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -41.21 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.732 HD23 HD23 ' A' ' 654' ' ' LEU . 22.2 mt -61.46 -48.07 82.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.566 ' O ' HG23 ' B' ' 659' ' ' VAL . 63.3 mt -65.57 -45.89 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.699 ' O ' HG23 ' B' ' 660' ' ' VAL . 55.1 mt -62.87 -40.15 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.891 HD22 HD11 ' A' ' 658' ' ' LEU . 19.4 mt -58.53 -52.36 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.74 HD11 HD22 ' A' ' 657' ' ' LEU . 19.8 mt -56.51 -43.09 79.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 655' ' ' LEU . 80.5 t -64.25 -36.28 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.4 t -66.4 -44.54 90.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -60.54 -48.16 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.759 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 30.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.3 mmm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.4 -45.44 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.78 -40.87 98.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.24 -47.2 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.705 HD23 HD23 ' B' ' 654' ' ' LEU . 20.8 mt -56.16 -48.17 76.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 659' ' ' VAL . 69.8 mt -62.81 -48.93 76.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.699 ' O ' HG23 ' A' ' 660' ' ' VAL . 37.8 mt -59.45 -39.97 85.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' B' ' 654' ' ' LEU . 24.7 mt -58.13 -52.27 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 20.2 mt -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 655' ' ' LEU . 60.6 t -62.88 -36.8 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 656' ' ' LEU . 77.5 t -64.9 -45.22 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.785 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -59.78 -47.82 84.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.777 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.6 mt -55.41 -50.38 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.59 -53.4 46.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 70.7 mt -56.88 -38.94 61.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.61 -51.71 57.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 37.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.88 0.372 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.53 -40.77 99.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.96 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.705 HD23 HD23 ' A' ' 654' ' ' LEU . 21.7 mt -56.45 -48.6 76.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 659' ' ' VAL . 63.6 mt -62.14 -48.92 77.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' B' ' 660' ' ' VAL . 34.6 mt -59.64 -40.67 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 654' ' ' LEU . 22.7 mt -57.24 -52.36 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 19.1 mt -56.05 -45.41 79.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 655' ' ' LEU . 56.5 t -62.28 -36.66 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.9 t -64.07 -49.63 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.777 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -56.59 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.785 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 18.7 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.1 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.334 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.52 -46.7 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.34 97.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.69 62.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.581 HD23 HD23 ' B' ' 654' ' ' LEU . 20.6 mt -60.32 -47.84 84.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 659' ' ' VAL . 71.3 mt -62.84 -46.02 89.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 660' ' ' VAL . 29.8 mt -63.63 -38.28 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.62 HD22 HD11 ' B' ' 658' ' ' LEU . 19.7 mt -58.75 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.608 HD11 HD22 ' B' ' 657' ' ' LEU . 18.3 mt -58.6 -41.78 86.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.8 t -64.19 -35.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 656' ' ' LEU . 79.4 t -65.91 -43.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.752 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -62.42 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.775 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.4 mt -60.44 -50.19 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.97 -49.56 66.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 27.2 mt -57.38 -44.14 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.16 -52.19 52.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.88 0.371 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.24 96.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.427 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.13 61.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 654' ' ' LEU . 20.2 mt -59.47 -47.75 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.654 ' O ' HG23 ' B' ' 659' ' ' VAL . 67.5 mt -62.18 -46.5 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.7 mt -63.19 -38.49 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 658' ' ' LEU . 21.7 mt -58.24 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.62 HD11 HD22 ' A' ' 657' ' ' LEU . 17.9 mt -58.54 -42.1 87.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.1 t -64.02 -35.77 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.8 t -65.78 -43.68 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.42 -44.95 95.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.752 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.0 mmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.9 -46.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.54 98.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.36 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.593 HD23 HD23 ' B' ' 654' ' ' LEU . 20.9 mt -58.68 -47.83 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 659' ' ' VAL . 68.1 mt -62.0 -46.25 90.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.0 mt -63.37 -37.64 88.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.536 HD22 HD11 ' B' ' 658' ' ' LEU . 24.8 mt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.548 HD11 HD22 ' B' ' 657' ' ' LEU . 19.7 mt -58.44 -42.04 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.4 t -63.88 -35.88 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 656' ' ' LEU . 73.8 t -65.91 -44.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.49 -45.96 92.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.775 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.2 mt -59.95 -50.52 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.29 -48.88 66.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 27.7 mt -58.04 -45.21 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.78 -51.7 53.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 63.8 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.901 0.382 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.23 98.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.87 -45.68 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 654' ' ' LEU . 20.8 mt -58.62 -47.86 82.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.626 ' O ' HG23 ' B' ' 659' ' ' VAL . 62.7 mt -61.93 -46.41 89.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.2 mt -63.31 -37.77 88.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 658' ' ' LEU . 23.2 mt -59.19 -52.02 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.536 HD11 HD22 ' A' ' 657' ' ' LEU . 19.7 mt -58.55 -42.29 87.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 655' ' ' LEU . 58.0 t -63.93 -35.75 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.2 t -65.75 -44.07 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.9 -45.74 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.737 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 28.6 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 82.5 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.07 -47.03 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.49 97.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.28 -46.91 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.543 HD23 HD23 ' B' ' 654' ' ' LEU . 19.6 mt -56.46 -47.69 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 mt -62.48 -46.87 86.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.3 mt -62.28 -38.17 88.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.46 -52.1 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.46 -43.23 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 655' ' ' LEU . 47.2 t -63.22 -35.83 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 656' ' ' LEU . 79.8 t -66.25 -43.04 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.815 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -62.14 -45.62 92.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.808 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 22.8 mt -58.29 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.93 -44.36 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.54 -49.18 71.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.8 97.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.36 -46.19 56.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.543 HD23 HD23 ' A' ' 654' ' ' LEU . 20.1 mt -56.98 -47.52 80.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.664 ' O ' HG23 ' B' ' 659' ' ' VAL . 69.4 mt -62.96 -46.31 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.711 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.5 mt -62.55 -38.92 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.412 ' CD1' HD22 ' A' ' 654' ' ' LEU . 24.0 mt -58.85 -52.03 67.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.3 -43.0 82.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 655' ' ' LEU . 47.2 t -63.86 -36.05 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 656' ' ' LEU . 79.4 t -64.72 -44.9 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.808 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.68 -44.74 96.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.815 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 21.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 68.4 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.01 -46.02 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.83 -40.32 98.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.09 -46.0 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.532 HD23 HD23 ' B' ' 654' ' ' LEU . 20.1 mt -55.87 -47.57 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 659' ' ' VAL . 66.0 mt -63.08 -47.43 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.6 mt -60.53 -39.5 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' B' ' 654' ' ' LEU . 24.4 mt -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 21.1 mt -55.91 -44.98 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.3 t -61.96 -37.05 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 656' ' ' LEU . 76.4 t -64.28 -47.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.805 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -58.14 -45.59 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.807 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 21.3 mt -56.36 -50.98 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.47 42.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 664' ' ' ILE . . . . . 0.423 HD12 HG12 ' A' ' 660' ' ' VAL . 90.0 mt -57.42 -36.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.32 -50.95 61.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.893 0.378 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.72 -40.59 98.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.45 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.532 HD23 HD23 ' A' ' 654' ' ' LEU . 20.4 mt -56.49 -47.58 78.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 659' ' ' VAL . 70.8 mt -62.97 -47.35 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.0 mt -60.67 -40.24 91.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 654' ' ' LEU . 24.6 mt -58.34 -51.92 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 20.0 mt -56.06 -44.97 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 655' ' ' LEU . 91.0 t -62.05 -36.42 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 656' ' ' LEU . 80.0 t -64.03 -49.46 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.807 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -57.41 -44.96 85.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.805 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 18.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.4 mmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.09 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.97 -40.11 96.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.1 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.629 HD23 HD23 ' B' ' 654' ' ' LEU . 21.1 mt -55.93 -47.93 76.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 659' ' ' VAL . 65.6 mt -62.35 -46.33 89.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.5 mt -62.86 -37.62 87.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.88 -52.09 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.594 HD11 HD22 ' B' ' 657' ' ' LEU . 19.4 mt -58.13 -41.71 84.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.4 t -64.26 -36.0 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 656' ' ' LEU . 78.8 t -65.93 -43.53 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.748 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.99 -46.18 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.768 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 28.1 mt -59.24 -50.55 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.45 65.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 28.0 mt -57.19 -45.34 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.22 -50.32 62.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 63.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.19 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.37 -44.26 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 654' ' ' LEU . 20.8 mt -59.7 -47.77 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 659' ' ' VAL . 72.6 mt -63.52 -47.3 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 660' ' ' VAL . 33.7 mt -62.62 -37.44 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.594 HD22 HD11 ' A' ' 658' ' ' LEU . 19.0 mt -59.63 -52.29 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.98 -42.46 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 655' ' ' LEU . 62.0 t -63.49 -35.99 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 656' ' ' LEU . 79.2 t -65.73 -43.9 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.768 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.748 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 28.3 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 64.6 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.84 -44.99 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.55 -40.76 99.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.22 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.544 HD23 HD23 ' B' ' 654' ' ' LEU . 19.3 mt -56.39 -48.16 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 659' ' ' VAL . 77.1 mt -63.39 -46.97 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.0 mt -60.9 -38.21 84.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.6 -52.15 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.9 -44.68 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 655' ' ' LEU . 61.0 t -62.6 -36.79 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.6 t -64.96 -43.22 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.799 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.786 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 22.0 mt -56.66 -49.04 76.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.11 -51.7 57.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.89 -38.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -60.51 -51.85 56.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.05 99.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.35 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.544 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -56.61 -47.69 79.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.507 ' O ' HG23 ' B' ' 659' ' ' VAL . 59.0 mt -62.62 -48.29 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.733 ' O ' HG23 ' B' ' 660' ' ' VAL . 34.7 mt -60.31 -40.26 89.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.455 ' CD1' HD22 ' A' ' 654' ' ' LEU . 23.9 mt -57.87 -52.0 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.47 -44.8 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 655' ' ' LEU . 59.0 t -62.07 -36.05 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 656' ' ' LEU . 76.5 t -64.17 -48.21 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.786 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.799 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 90.0 mmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.19 -44.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.23 -37.84 95.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.05 -46.16 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.557 HD23 HD23 ' B' ' 654' ' ' LEU . 16.9 mt -61.15 -48.14 82.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 659' ' ' VAL . 44.7 mt -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.2 mt -64.23 -38.86 92.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.781 HD22 HD11 ' B' ' 658' ' ' LEU . 18.5 mt -57.04 -52.31 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.761 HD11 HD22 ' B' ' 657' ' ' LEU . 17.8 mt -59.95 -40.98 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 655' ' ' LEU . 75.5 t -65.19 -35.75 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.7 t -65.96 -44.13 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.92 -45.36 94.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.688 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.8 mt -60.36 -50.53 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -49.58 68.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 664' ' ' ILE . . . . . 0.433 ' CD1' HG12 ' A' ' 660' ' ' VAL . 34.8 mt -57.12 -43.87 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.46 -51.14 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.895 0.379 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.58 95.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.62 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 654' ' ' LEU . 16.2 mt -60.52 -48.24 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.675 ' O ' HG23 ' B' ' 659' ' ' VAL . 48.2 mt -61.7 -46.88 87.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.698 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.6 mt -63.84 -38.91 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.761 HD22 HD11 ' A' ' 658' ' ' LEU . 18.7 mt -56.89 -52.35 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.781 HD11 HD22 ' A' ' 657' ' ' LEU . 17.5 mt -59.65 -41.35 90.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.0 t -64.96 -35.74 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 656' ' ' LEU . 77.6 t -65.74 -44.4 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -61.85 -44.99 95.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.709 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.7 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 45.8 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.63 -43.98 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.3 98.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.88 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.688 HD23 HD23 ' B' ' 654' ' ' LEU . 20.7 mt -55.92 -48.02 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 659' ' ' VAL . 70.7 mt -63.27 -47.21 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 660' ' ' VAL . 37.2 mt -60.68 -39.99 90.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' B' ' 654' ' ' LEU . 26.3 mt -58.54 -52.25 66.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.01 -45.38 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 655' ' ' LEU . 96.4 t -62.18 -36.29 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 656' ' ' LEU . 78.6 t -64.82 -44.63 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.802 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.15 -46.7 89.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.808 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.2 mt -57.99 -50.27 73.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.21 -51.26 58.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 43.7 mt -55.31 -44.27 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.43 -49.82 69.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.81 97.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.43 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.688 HD23 HD23 ' A' ' 654' ' ' LEU . 20.5 mt -56.5 -47.65 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.0 mt -63.19 -46.69 85.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.1 mt -61.55 -39.15 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.28 -51.98 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.6 -43.77 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.2 t -63.59 -36.28 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 656' ' ' LEU . 75.8 t -65.3 -42.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.808 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -63.04 -47.28 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.802 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 26.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 93.1 mmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.3 t -60.1 -46.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.91 98.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.27 -45.69 59.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.552 HD23 HD23 ' B' ' 654' ' ' LEU . 20.4 mt -57.02 -47.89 79.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.8 mt -62.7 -47.07 85.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.7 mt -61.93 -38.43 88.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.33 -51.97 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.26 -43.69 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.5 t -62.79 -35.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 656' ' ' LEU . 72.0 t -65.59 -44.41 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.794 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.07 -45.43 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.812 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 20.1 mt -57.39 -51.57 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.72 -50.59 62.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 58.8 mt -56.83 -44.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.44 -50.93 59.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.68 98.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.16 -46.04 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.552 HD23 HD23 ' A' ' 654' ' ' LEU . 20.7 mt -56.41 -47.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.673 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.6 mt -63.11 -46.44 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 660' ' ' VAL . 36.1 mt -62.22 -38.05 87.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 654' ' ' LEU . 25.7 mt -59.99 -51.89 67.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.17 -42.72 81.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 655' ' ' LEU . 45.2 t -63.75 -36.29 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.4 t -64.94 -44.44 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.812 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.56 -45.42 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.794 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 41.9 mmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.25 -41.63 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.34 -36.48 78.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.67 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.788 HD23 HD23 ' B' ' 654' ' ' LEU . 19.3 mt -61.7 -48.89 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 659' ' ' VAL . 29.7 mt -64.73 -47.56 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.701 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.4 mt -61.0 -43.9 98.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.841 HD22 HD11 ' B' ' 658' ' ' LEU . 19.9 mt -55.06 -52.24 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.978 HD11 HD22 ' B' ' 657' ' ' LEU . 19.6 mt -55.59 -45.68 77.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 655' ' ' LEU . 58.6 t -64.26 -36.13 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 656' ' ' LEU . 72.6 t -65.31 -45.45 93.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.81 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -60.43 -47.82 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.828 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.9 mt -58.39 -50.79 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.82 61.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.9 -40.88 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.29 86.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.832 0.349 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.32 -35.99 77.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.92 -41.09 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.788 HD23 HD23 ' A' ' 654' ' ' LEU . 19.1 mt -62.17 -48.79 78.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.524 ' O ' HG23 ' B' ' 659' ' ' VAL . 19.5 mt -65.69 -45.65 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.682 ' O ' HG23 ' B' ' 660' ' ' VAL . 29.1 mt -62.61 -41.87 99.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.978 HD22 HD11 ' A' ' 658' ' ' LEU . 19.5 mt -57.33 -52.35 65.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.841 HD11 HD22 ' A' ' 657' ' ' LEU . 18.8 mt -55.71 -44.44 77.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 655' ' ' LEU . 70.2 t -65.13 -36.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 656' ' ' LEU . 70.3 t -66.13 -42.62 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.828 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.31 -49.02 77.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.81 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 24.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -45.04 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.38 -41.42 96.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.39 62.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.574 HD23 HD23 ' B' ' 654' ' ' LEU . 21.1 mt -59.66 -48.36 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.0 mt -63.51 -47.72 80.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.3 mt -62.17 -38.41 88.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.601 HD22 HD11 ' B' ' 658' ' ' LEU . 20.5 mt -58.46 -52.29 66.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.588 HD11 HD22 ' B' ' 657' ' ' LEU . 19.5 mt -58.28 -41.21 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.9 t -65.22 -36.23 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 656' ' ' LEU . 69.1 t -65.25 -44.7 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.53 -46.98 87.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.715 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.0 mt -59.74 -50.15 74.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.61 65.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.2 mt -58.0 -46.97 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.8 -49.16 62.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.5 97.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.02 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.574 HD23 HD23 ' A' ' 654' ' ' LEU . 21.5 mt -60.05 -48.05 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.678 ' O ' HG23 ' B' ' 659' ' ' VAL . 78.8 mt -63.33 -48.31 78.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.9 mt -61.64 -39.31 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.588 HD22 HD11 ' A' ' 658' ' ' LEU . 20.8 mt -57.56 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.601 HD11 HD22 ' A' ' 657' ' ' LEU . 19.6 mt -57.95 -42.26 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 655' ' ' LEU . 40.6 t -64.68 -36.18 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.7 t -64.82 -44.74 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -62.04 -46.42 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.722 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 56.8 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 43.2 t -61.1 -43.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.28 -36.33 84.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.0 -40.52 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 654' ' ' LEU . . . . . 0.754 HD23 HD23 ' B' ' 654' ' ' LEU . 21.2 mt -61.86 -48.56 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 659' ' ' VAL . 92.7 mt -64.89 -46.62 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 660' ' ' VAL . 41.4 mt -62.32 -42.86 99.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 657' ' ' LEU . . . . . 0.887 HD22 HD11 ' B' ' 658' ' ' LEU . 18.3 mt -55.67 -52.48 63.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 658' ' ' LEU . . . . . 0.899 HD11 HD22 ' B' ' 657' ' ' LEU . 18.3 mt -55.87 -45.62 78.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 655' ' ' LEU . 48.7 t -64.24 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 656' ' ' LEU . 73.2 t -66.0 -45.26 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.795 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -59.92 -48.2 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.787 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.8 mt -55.55 -50.62 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.95 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 664' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 660' ' ' VAL . 69.9 mt -54.61 -41.93 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.06 -52.09 54.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.61 81.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.67 -41.12 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.754 HD23 HD23 ' A' ' 654' ' ' LEU . 21.2 mt -61.73 -49.01 78.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 655' ' ' LEU . . . . . 0.527 ' O ' HG23 ' B' ' 659' ' ' VAL . 59.5 mt -64.48 -47.04 80.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 656' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 660' ' ' VAL . 28.4 mt -61.87 -43.45 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 657' ' ' LEU . . . . . 0.899 HD22 HD11 ' A' ' 658' ' ' LEU . 20.1 mt -55.09 -52.48 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.887 HD11 HD22 ' A' ' 657' ' ' LEU . 18.4 mt -55.98 -44.97 79.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 655' ' ' LEU . 60.7 t -64.69 -36.32 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 660' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.0 t -66.08 -44.25 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 661' ' ' ALA . . . . . 0.787 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.73 -48.34 82.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 662' ' ' LEU . . . . . 0.795 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 20.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.05 90.19 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 3.2 t -159.78 68.85 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' PRO . . . . . 0.4 ' C ' HG23 ' A' ' 638' ' ' THR . 54.3 Cg_endo -69.69 -4.3 13.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 637' ' ' PRO . 1.3 p 62.07 27.43 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.12 145.63 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 166.96 71.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 98.56 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -173.66 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.2 mt -119.08 74.75 14.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -10.69 60.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.53 -16.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.95 53.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.2 m -50.5 -47.51 57.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.55 -35.2 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.2 mmm -65.61 -54.27 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.85 -43.76 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.96 -37.49 87.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.61 -39.68 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.736 HD23 HD23 ' B' ' 654' ' ' LEU . 21.3 mt -61.7 -48.11 82.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 659' ' ' VAL . 50.4 mt -65.51 -46.35 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 660' ' ' VAL . 39.0 mt -62.43 -40.41 96.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.869 HD22 HD11 ' B' ' 658' ' ' LEU . 18.6 mt -58.43 -52.03 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.867 HD11 HD22 ' B' ' 657' ' ' LEU . 19.4 mt -56.38 -44.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 655' ' ' LEU . 95.2 t -63.43 -36.18 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 656' ' ' LEU . 69.1 t -66.12 -44.81 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.762 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -60.48 -47.88 84.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.768 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.2 mt -58.66 -50.48 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.02 65.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.609 HG22 ' CE ' ' A' ' 668' ' ' MET . 32.2 mt -59.33 -43.69 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.47 -49.29 70.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.22 -34.17 74.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -66.47 -50.94 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.609 ' CE ' HG22 ' A' ' 664' ' ' ILE . 51.9 mtm -61.99 -36.51 81.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -42.43 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -89.3 4.94 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -113.84 117.89 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 161.96 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.31 107.99 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.48 150.03 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 165.63 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 63.16 49.55 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -152.75 -44.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 12.0 t -150.27 73.4 9.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.28 29.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 5.4 p -53.56 -57.84 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -135.2 176.01 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 151.71 76.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 126.6 13.51 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -144.42 127.4 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.61 74.82 1.68 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 111.189 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.615 ' HG2' HG22 ' B' ' 646' ' ' ILE . 53.3 Cg_endo -69.81 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -10.52 59.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.615 HG22 ' HG2' ' B' ' 644' ' ' PRO . 2.4 tt -63.09 -16.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.05 -31.94 14.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.64 -47.46 67.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -72.12 -33.34 62.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 46.4 mmm -67.24 -54.53 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.81 -42.81 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.85 87.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.1 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 654' ' ' LEU . 21.4 mt -61.49 -48.44 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 659' ' ' VAL . 97.7 mt -65.48 -46.87 78.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.705 ' O ' HG23 ' B' ' 660' ' ' VAL . 30.7 mt -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.867 HD22 HD11 ' A' ' 658' ' ' LEU . 18.5 mt -58.99 -51.86 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 657' ' ' LEU . 19.3 mt -56.27 -43.77 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 655' ' ' LEU . 62.2 t -63.87 -36.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 656' ' ' LEU . 68.9 t -65.91 -44.92 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.768 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.43 -47.56 85.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.762 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.5 mt -59.01 -50.31 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.57 -48.9 67.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.607 HG22 ' CE ' ' B' ' 668' ' ' MET . 31.2 mt -59.76 -43.08 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.78 76.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.17 -33.76 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -67.05 -50.99 60.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.607 ' CE ' HG22 ' B' ' 664' ' ' ILE . 51.6 mtm -62.42 -36.17 81.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -45.23 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 50.48 55.28 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -144.07 132.18 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -117.15 -27.48 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.3 pt -107.79 98.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.29 144.11 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -61.32 165.86 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -119.61 135.3 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 93.27 32.12 8.0 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 3.2 t -144.6 68.11 14.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 76.84 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 15.3 p 49.63 43.35 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -129.75 173.1 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 95.1 75.94 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.24 64.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -159.28 130.54 6.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 31.2 mt -134.0 69.72 74.71 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.593 0.711 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -10.87 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.56 -11.48 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.98 -29.72 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 20.3 m -54.7 -49.1 71.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.37 -36.75 78.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 73.8 mmm -65.29 -47.88 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 647' ' ' ALA . 61.1 t -60.75 -44.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.86 98.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.4 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.617 HD23 HD23 ' B' ' 654' ' ' LEU . 20.9 mt -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 659' ' ' VAL . 68.0 mt -62.75 -47.2 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.703 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.2 mt -62.79 -37.11 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.597 HD22 HD11 ' B' ' 658' ' ' LEU . 24.5 mt -59.74 -52.3 66.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.619 HD11 HD22 ' B' ' 657' ' ' LEU . 18.8 mt -58.65 -40.72 84.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.8 t -64.62 -35.99 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 656' ' ' LEU . 70.5 t -66.21 -44.41 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.36 -45.88 92.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.756 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.6 mt -60.67 -50.35 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.4 -47.9 66.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.596 HG22 ' CE ' ' A' ' 668' ' ' MET . 22.1 mt -58.71 -47.09 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -49.11 62.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.31 -35.74 73.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -63.59 -51.15 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.596 ' CE ' HG22 ' A' ' 664' ' ' ILE . 49.6 mtm -63.0 -37.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -70.43 -25.6 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -70.07 -22.95 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -122.58 119.86 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -67.35 174.68 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.39 104.94 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 36.0 m -52.92 -32.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.73 138.15 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -62.53 -42.98 99.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -134.79 -54.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 75.2 m 54.23 73.17 0.94 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.61 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.26 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 18.4 p 49.33 47.09 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.62 142.46 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 110.97 71.7 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.03 61.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -146.09 118.36 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.471 ' H ' HD12 ' B' ' 643' ' ' ILE . 1.0 OUTLIER -129.56 70.47 81.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 111.116 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.89 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -11.72 61.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.414 HG22 ' O ' ' B' ' 646' ' ' ILE . 45.7 mt -66.55 -12.25 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.645 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.19 -29.55 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.9 m -55.14 -49.54 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.33 84.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 71.0 mmm -64.79 -49.73 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 647' ' ' ALA . 59.0 t -58.71 -45.53 90.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.1 -41.25 97.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.17 -45.05 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.617 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -59.23 -47.73 84.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.6 mt -63.54 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 660' ' ' VAL . 35.2 mt -63.4 -37.3 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 658' ' ' LEU . 23.2 mt -59.76 -52.38 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.597 HD11 HD22 ' A' ' 657' ' ' LEU . 18.4 mt -58.61 -40.74 84.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 655' ' ' LEU . 91.2 t -64.65 -35.96 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 656' ' ' LEU . 72.0 t -66.2 -44.22 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -61.57 -45.95 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.754 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 30.0 mt -60.64 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.43 -47.55 68.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.601 HG22 ' CE ' ' B' ' 668' ' ' MET . 21.5 mt -59.04 -47.27 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.79 63.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.8 -35.4 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -63.81 -51.14 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.601 ' CE ' HG22 ' B' ' 664' ' ' ILE . 49.9 mtm -62.77 -39.43 94.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -69.59 -35.78 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -96.63 86.51 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 671' ' ' ARG . . . . . 0.57 ' HB3' HG22 ' B' ' 673' ' ' ILE . 33.5 mtt180 -140.93 138.69 34.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 672' ' ' HIS . . . . . 0.691 ' O ' HG23 ' B' ' 674' ' ' VAL . 54.3 p-80 -51.84 -38.95 57.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.57 HG22 ' HB3' ' B' ' 671' ' ' ARG . 1.2 tt -58.34 98.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 674' ' ' VAL . . . . . 0.691 HG23 ' O ' ' B' ' 672' ' ' HIS . 24.6 t -105.62 147.99 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -116.53 -27.41 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.34 177.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 100.84 91.59 2.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 16.3 t -154.11 69.76 6.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.94 19.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 3.0 m 66.77 41.76 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -122.07 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 148.17 70.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 157.02 61.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -164.07 133.18 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 30.6 mt -129.76 69.58 81.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.2 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.4 -9.91 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 646' ' ' ILE . 40.5 mt -67.31 -11.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.9 -29.8 30.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -54.71 -47.5 73.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.1 -36.47 64.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.9 mmm -65.83 -48.07 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 647' ' ' ALA . 58.2 t -61.51 -45.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.77 99.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.65 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.583 HD23 HD23 ' B' ' 654' ' ' LEU . 21.4 mt -61.5 -48.04 82.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.3 mt -64.43 -46.25 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 660' ' ' VAL . 30.6 mt -63.36 -39.4 94.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.783 HD22 HD11 ' B' ' 658' ' ' LEU . 18.9 mt -58.19 -52.4 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.823 HD11 HD22 ' B' ' 657' ' ' LEU . 17.9 mt -58.69 -39.35 80.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 655' ' ' LEU . 63.1 t -66.62 -35.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.6 t -65.92 -44.24 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -62.69 -43.88 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.694 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.9 mt -59.56 -49.81 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.4 87.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.41 HD11 HG12 ' A' ' 660' ' ' VAL . 23.7 mt -56.37 -50.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.37 -49.43 60.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.47 HD23 ' HG3' ' B' ' 669' ' ' ARG . 65.1 mt -57.28 -35.4 69.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -76.45 -35.76 58.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.2 mtt -60.57 -49.2 78.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.424 ' HG3' HD22 ' B' ' 666' ' ' LEU . 4.0 mtt-85 -74.61 -25.03 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -66.48 -26.26 67.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -109.21 -29.08 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -89.67 144.08 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.1 pt -114.16 112.2 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 677' ' ' ARG . 10.9 p -65.76 150.65 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -77.62 151.53 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 28.2 tttm 56.36 33.33 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' ARG . . . . . 0.474 ' HB3' HG13 ' A' ' 674' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.916 0.388 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 101.59 -164.64 17.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 6.6 p -152.58 70.52 7.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 84.71 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.232 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 9.1 t 37.81 42.58 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -102.27 151.42 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -150.28 163.17 29.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -172.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -135.16 121.18 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 20.0 mm -114.03 71.91 2.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.171 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.595 ' HG2' HG22 ' B' ' 646' ' ' ILE . 54.0 Cg_endo -69.77 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -9.82 59.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.595 HG22 ' HG2' ' B' ' 644' ' ' PRO . 5.9 tt -66.58 -13.63 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.629 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.36 -30.48 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 10.3 m -54.14 -49.02 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.42 77.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 68.8 mmm -65.78 -46.93 76.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 647' ' ' ALA . 61.9 t -61.18 -45.95 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.31 -40.44 98.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.21 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.583 HD23 HD23 ' A' ' 654' ' ' LEU . 21.3 mt -62.13 -47.84 82.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.658 ' O ' HG23 ' B' ' 659' ' ' VAL . 70.8 mt -64.38 -45.77 86.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.711 ' O ' HG23 ' B' ' 660' ' ' VAL . 25.7 mt -64.08 -39.78 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.823 HD22 HD11 ' A' ' 658' ' ' LEU . 18.1 mt -57.71 -52.53 65.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.783 HD11 HD22 ' A' ' 657' ' ' LEU . 18.0 mt -58.75 -40.08 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 655' ' ' LEU . 98.4 t -66.02 -36.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 656' ' ' LEU . 72.4 t -65.77 -43.78 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -62.37 -45.96 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.708 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 23.7 mt -58.47 -50.35 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.01 -49.61 62.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.442 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.619 HG22 ' CE ' ' B' ' 668' ' ' MET . 25.2 mt -57.87 -44.69 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.381 . . . . 0.0 111.123 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.23 -49.55 67.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.424 HD22 ' HG3' ' A' ' 669' ' ' ARG . 35.1 mt -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.17 -50.8 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.619 ' CE ' HG22 ' B' ' 664' ' ' ILE . 51.1 mtm -63.41 -32.36 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 669' ' ' ARG . . . . . 0.47 ' HG3' HD23 ' A' ' 666' ' ' LEU . 0.0 OUTLIER -72.72 -39.08 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.24 4.38 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -127.91 -176.01 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -59.41 106.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 673' ' ' ILE . 0.8 OUTLIER -111.04 110.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.25 136.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 179.55 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -167.19 163.46 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 153.15 -111.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.9 t -149.92 68.35 8.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -20.49 34.57 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 5.3 t -55.65 -25.23 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -60.89 141.82 56.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 130.7 71.16 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -148.22 128.76 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.0 mt -137.05 67.55 55.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -165.73 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -11.02 60.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 27.0 mm -66.65 -11.85 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.03 -30.61 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 14.1 m -54.17 -48.69 70.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.78 -35.46 73.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.6 mmm -67.15 -42.55 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 647' ' ' ALA . 84.4 t -64.82 -45.75 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.45 97.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.4 -47.28 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.673 HD23 HD23 ' B' ' 654' ' ' LEU . 21.4 mt -56.04 -47.4 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 mt -62.94 -47.52 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.7 mt -61.36 -39.28 90.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.64 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.03 -43.7 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 655' ' ' LEU . 47.6 t -63.49 -36.15 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 656' ' ' LEU . 77.7 t -65.07 -44.61 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.797 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.36 -45.96 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.793 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.2 mt -58.09 -50.79 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.2 -51.3 58.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.593 HG22 ' CE ' ' A' ' 668' ' ' MET . 49.5 mt -55.72 -43.91 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.21 -50.99 60.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.41 HD22 ' CG ' ' B' ' 669' ' ' ARG . 25.1 mt -68.51 -33.93 74.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -66.55 -51.48 56.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.593 ' CE ' HG22 ' A' ' 664' ' ' ILE . 53.2 mtm -60.39 -38.51 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.549 ' CD ' HD22 ' B' ' 666' ' ' LEU . 13.6 mtt180 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -81.81 -24.3 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -58.75 -27.55 65.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' HIS . . . . . 0.644 ' HB3' HG11 ' B' ' 674' ' ' VAL . 5.9 m80 -79.83 -8.77 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 59.3 mt -77.36 99.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.5 t 62.41 63.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -85.23 -35.29 21.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -61.58 139.48 58.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.95 0.405 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.53 -90.27 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 97.9 m -119.5 73.35 15.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -23.19 31.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 13.3 p -56.68 -32.49 65.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -141.01 133.71 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 164.43 71.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 133.7 26.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -116.83 106.28 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.422 ' H ' HD12 ' B' ' 643' ' ' ILE . 1.1 pp -121.86 68.07 23.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.124 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -164.79 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.92 -12.57 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 26.8 mm -66.88 -12.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.64 -30.45 21.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.7 m -54.81 -46.81 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.34 -35.68 63.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 53.1 mmm -67.23 -43.92 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 647' ' ' ALA . 89.0 t -64.47 -45.26 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.6 97.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.99 53.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.673 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -56.13 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.625 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.9 mt -62.64 -46.65 87.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.5 mt -62.3 -38.63 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.423 ' CD1' HD22 ' A' ' 654' ' ' LEU . 27.1 mt -59.16 -51.87 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.67 -42.45 83.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 655' ' ' LEU . 57.8 t -64.26 -36.05 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 656' ' ' LEU . 77.8 t -65.86 -42.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.793 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -63.29 -46.84 84.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.797 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 25.9 mt -58.16 -49.0 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.66 63.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.623 HG22 ' CE ' ' B' ' 668' ' ' MET . 34.1 mt -57.96 -40.85 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.78 57.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.549 HD22 ' CD ' ' A' ' 669' ' ' ARG . 28.6 mt -64.26 -32.17 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -72.04 -51.51 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.623 ' CE ' HG22 ' B' ' 664' ' ' ILE . 56.7 mtm -58.4 -31.37 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 669' ' ' ARG . . . . . 0.41 ' CG ' HD22 ' A' ' 666' ' ' LEU . 4.0 mmm180 -56.4 -25.21 49.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 50.86 45.72 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -143.62 131.69 21.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -114.02 -39.07 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.57 110.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 674' ' ' VAL . . . . . 0.644 HG11 ' HB3' ' A' ' 672' ' ' HIS . 11.0 p -76.26 147.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -52.01 110.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -165.77 175.04 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.02 89.18 2.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 49.7 t -171.6 73.95 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 87.35 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 14.4 p 49.74 39.59 18.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -104.03 154.77 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 111.01 73.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 139.59 40.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -158.25 132.21 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 24.8 mt -132.29 66.55 77.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.558 ' HB2' HD12 ' A' ' 646' ' ' ILE . 54.0 Cg_endo -69.74 -168.91 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -11.18 60.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 644' ' ' PRO . 4.1 mp -67.87 -15.47 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.21 -29.51 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.6 m -54.38 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.01 -36.58 81.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.2 mmm -65.59 -45.82 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 647' ' ' ALA . 62.4 t -63.21 -42.02 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.88 99.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.4 56.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.726 HD23 HD23 ' B' ' 654' ' ' LEU . 21.3 mt -55.85 -48.44 75.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 659' ' ' VAL . 67.7 mt -63.21 -48.16 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 660' ' ' VAL . 39.5 mt -59.94 -40.68 89.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' B' ' 654' ' ' LEU . 27.7 mt -57.61 -52.1 66.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.6 -42.64 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.8 t -65.89 -36.38 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 656' ' ' LEU . 71.3 t -64.72 -42.03 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.818 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -64.34 -47.11 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.802 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.6 mt -60.52 -48.74 80.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.15 -50.45 55.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.633 HG22 ' CE ' ' A' ' 668' ' ' MET . 34.8 mt -59.95 -42.63 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.45 -50.9 57.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.22 -35.96 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -66.75 -50.87 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.633 ' CE ' HG22 ' A' ' 664' ' ' ILE . 58.4 mtm -60.39 -32.02 70.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -28.09 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 50.99 60.94 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -70.53 -28.27 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -130.12 99.2 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 69.1 mt -101.23 106.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 67.1 t -110.68 115.66 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -77.93 141.61 38.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 166.75 24.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.02 -81.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 10.9 t -127.0 69.63 73.59 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.36 18.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.8 m 65.92 38.96 4.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -83.67 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -158.71 176.68 35.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 102.97 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -132.3 119.07 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 30.0 mt -126.82 67.69 68.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -166.2 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -9.42 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.405 ' O ' HG22 ' B' ' 646' ' ' ILE . 36.0 mt -68.88 -11.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -56.09 -27.36 53.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 6.7 m -55.71 -48.71 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.17 -37.6 63.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 49.5 mmm -64.86 -48.74 73.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 647' ' ' ALA . 94.7 t -61.95 -42.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.85 99.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.65 -46.14 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 654' ' ' LEU . 21.1 mt -56.44 -48.26 77.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 659' ' ' VAL . 66.6 mt -63.14 -48.01 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' B' ' 660' ' ' VAL . 43.2 mt -60.24 -40.83 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.429 ' CD1' HD22 ' A' ' 654' ' ' LEU . 27.2 mt -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.444 HD11 HD22 ' A' ' 657' ' ' LEU . 20.4 mt -56.54 -44.17 80.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 655' ' ' LEU . 57.5 t -64.67 -36.32 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.1 t -63.75 -44.7 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.802 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.38 -46.81 86.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.818 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 24.9 mt -61.32 -49.32 77.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.95 -49.58 70.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.577 HG22 ' CE ' ' B' ' 668' ' ' MET . 38.0 mt -56.59 -44.49 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.23 52.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.1 mt -68.0 -32.97 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -67.65 -51.71 46.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.577 ' CE ' HG22 ' B' ' 664' ' ' ILE . 56.8 mtm -58.13 -41.93 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -24.42 53.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -66.66 -23.21 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 671' ' ' ARG . . . . . 0.412 ' CZ ' HD11 ' B' ' 673' ' ' ILE . 26.9 mtp180 -135.53 -175.43 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -129.15 26.68 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.412 HD11 ' CZ ' ' B' ' 671' ' ' ARG . 73.6 mt -55.99 -30.64 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.37 97.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -138.98 167.15 22.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.2 153.69 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -92.35 19.71 48.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.0 t -137.71 68.19 51.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.07 13.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.351 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 62.06 26.9 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.31 146.37 24.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 113.76 165.92 15.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 162.11 43.35 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.32 130.23 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 29.0 mt -143.34 72.48 17.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.582 ' HG2' HG22 ' A' ' 646' ' ' ILE . 53.5 Cg_endo -69.81 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -9.92 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.582 HG22 ' HG2' ' A' ' 644' ' ' PRO . 7.0 tt -65.72 -13.77 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -50.83 -32.01 18.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -52.73 48.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.98 75.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.427 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -54.76 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 647' ' ' ALA . 48.2 t -58.29 -42.61 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.67 -38.03 85.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.47 69.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.731 HD23 HD23 ' B' ' 654' ' ' LEU . 22.4 mt -60.47 -48.22 82.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 659' ' ' VAL . 25.7 mt -65.15 -48.44 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 660' ' ' VAL . 51.0 mt -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.63 HD22 HD11 ' B' ' 658' ' ' LEU . 19.4 mt -58.89 -51.92 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.621 HD11 HD22 ' B' ' 657' ' ' LEU . 19.9 mt -55.92 -45.13 78.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 655' ' ' LEU . 62.0 t -62.61 -36.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 656' ' ' LEU . 70.2 t -65.8 -46.64 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.767 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -58.35 -48.28 81.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.783 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.0 mt -55.46 -51.46 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.39 -52.02 52.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.594 HG22 ' CE ' ' A' ' 668' ' ' MET . 50.6 mt -58.3 -42.77 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.13 67.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.529 HD22 ' CD ' ' B' ' 669' ' ' ARG . 23.3 mt -69.64 -34.98 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.35 -51.21 62.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.594 ' CE ' HG22 ' A' ' 664' ' ' ILE . 59.5 mtm -60.21 -41.98 94.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.527 ' NE ' HD22 ' B' ' 666' ' ' LEU . 4.2 mtm180 -73.14 -25.34 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -81.11 -22.67 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -53.73 -28.43 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -58.07 98.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 35.6 pt -84.27 -28.56 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 38.5 t -52.41 145.82 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -115.09 -25.92 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -51.97 -55.57 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 60.56 -123.65 33.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.4 m 53.07 68.97 2.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -6.78 19.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 66.32 39.12 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -85.47 140.0 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.38 32.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.77 58.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.56 80.01 9.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 111.172 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -166.91 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -10.17 59.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.65 -13.03 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.428 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -50.59 -29.69 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -49.57 72.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.51 -31.0 70.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 60.9 mmm -68.53 -54.29 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 647' ' ' ALA . 59.2 t -58.1 -44.75 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.37 -37.63 90.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.37 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.731 HD23 HD23 ' A' ' 654' ' ' LEU . 21.7 mt -60.56 -48.13 83.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 659' ' ' VAL . 23.1 mt -64.59 -49.01 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 660' ' ' VAL . 74.9 mt -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 658' ' ' LEU . 19.0 mt -57.65 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 657' ' ' LEU . 19.3 mt -55.86 -44.96 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 655' ' ' LEU . 60.2 t -63.32 -36.45 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.0 t -65.22 -45.32 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.783 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.21 -47.36 86.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.767 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.3 mt -55.65 -51.08 68.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.19 -52.05 53.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.601 HG22 ' CE ' ' B' ' 668' ' ' MET . 47.5 mt -57.56 -42.43 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.89 66.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.527 HD22 ' NE ' ' A' ' 669' ' ' ARG . 23.3 mt -68.63 -34.1 75.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -66.74 -51.17 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.601 ' CE ' HG22 ' B' ' 664' ' ' ILE . 58.2 mtm -60.42 -38.18 83.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 669' ' ' ARG . . . . . 0.529 ' CD ' HD22 ' A' ' 666' ' ' LEU . 5.4 mtm180 -58.63 -36.23 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.72 39.35 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.27 125.49 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -145.27 168.42 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 2.7 pp -68.16 -12.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.54 -30.13 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.01 136.74 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -130.7 136.54 48.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.4 131.74 2.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.73 68.51 80.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.21 13.55 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.67 27.56 16.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -76.92 169.92 17.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 93.74 -175.06 35.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.68 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.23 146.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 67.0 mt 54.05 74.15 0.8 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.658 0.742 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.579 ' HB2' HD12 ' A' ' 646' ' ' ILE . 53.7 Cg_endo -69.74 -169.02 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -11.52 60.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.579 HD12 ' HB2' ' A' ' 644' ' ' PRO . 3.8 mp -66.08 -15.25 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.2 -32.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.6 m -53.06 -48.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.01 -32.82 69.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' MET . . . . . 0.414 ' HB3' ' HE3' ' A' ' 650' ' ' MET . 55.6 mmm -63.46 -54.0 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.96 -44.84 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -66.32 -37.44 92.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.09 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.732 HD23 HD23 ' B' ' 654' ' ' LEU . 22.3 mt -61.57 -47.69 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 659' ' ' VAL . 51.9 mt -65.4 -47.0 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.695 ' O ' HG23 ' A' ' 660' ' ' VAL . 29.9 mt -61.9 -39.82 93.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.74 HD22 HD11 ' B' ' 658' ' ' LEU . 19.5 mt -58.8 -52.11 67.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.891 HD11 HD22 ' B' ' 657' ' ' LEU . 20.8 mt -56.28 -44.29 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 655' ' ' LEU . 69.8 t -62.96 -36.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 656' ' ' LEU . 76.4 t -65.16 -46.58 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.775 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -59.59 -48.24 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.729 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.8 mt -58.48 -50.29 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -48.41 71.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.607 HG22 ' CE ' ' A' ' 668' ' ' MET . 22.3 mt -57.9 -46.3 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.15 -46.41 85.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.06 -30.7 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.44 -51.27 37.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.607 ' CE ' HG22 ' A' ' 664' ' ' ILE . 50.5 mtm -61.24 -52.22 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.5 ' HG3' HD22 ' B' ' 666' ' ' LEU . 5.2 mtt180 -65.08 -39.88 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.29 94.18 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.79 119.68 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.92 171.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.42 HG22 HG13 ' A' ' 674' ' ' VAL . 5.3 mp -98.23 -69.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 673' ' ' ILE . 16.6 m -147.87 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -106.41 -32.46 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -65.43 143.49 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -109.21 -56.65 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 10.3 m 52.26 68.19 3.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.13 13.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.75 27.16 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.71 -27.16 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 73.58 75.4 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.82 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -91.05 1.45 57.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 27.6 mt -144.22 73.82 15.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.573 ' HG2' HG22 ' B' ' 646' ' ' ILE . 53.1 Cg_endo -69.86 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -10.26 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.573 HG22 ' HG2' ' B' ' 644' ' ' PRO . 1.6 tp -64.26 -14.8 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.99 17.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.2 m -50.71 -47.41 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.48 65.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 66.8 mmm -63.98 -53.31 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -43.78 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.48 -37.11 89.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -41.21 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.732 HD23 HD23 ' A' ' 654' ' ' LEU . 22.2 mt -61.46 -48.07 82.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.566 ' O ' HG23 ' B' ' 659' ' ' VAL . 63.3 mt -65.57 -45.89 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.699 ' O ' HG23 ' B' ' 660' ' ' VAL . 55.1 mt -62.87 -40.15 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.891 HD22 HD11 ' A' ' 658' ' ' LEU . 19.4 mt -58.53 -52.36 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.74 HD11 HD22 ' A' ' 657' ' ' LEU . 19.8 mt -56.51 -43.09 79.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 655' ' ' LEU . 80.5 t -64.25 -36.28 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.4 t -66.4 -44.54 90.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -60.54 -48.16 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.759 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 30.6 mt -58.88 -50.34 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.38 64.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.602 HG22 ' CE ' ' B' ' 668' ' ' MET . 31.2 mt -60.44 -44.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.99 -49.18 63.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.5 HD22 ' HG3' ' A' ' 669' ' ' ARG . 20.9 mt -69.6 -35.83 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -63.6 -50.6 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.602 ' CE ' HG22 ' B' ' 664' ' ' ILE . 50.4 mtm -63.92 -36.35 83.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 51.41 49.15 21.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -156.08 132.08 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 672' ' ' HIS . . . . . 0.606 ' O ' HD13 ' B' ' 673' ' ' ILE . 18.9 m80 -97.87 -67.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.606 HD13 ' O ' ' B' ' 672' ' ' HIS . 31.0 mm -136.05 121.42 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 674' ' ' VAL . . . . . 0.688 HG12 ' H ' ' B' ' 676' ' ' LYS . 71.2 t -53.12 126.03 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -52.05 -31.3 29.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 676' ' ' LYS . . . . . 0.688 ' H ' HG12 ' B' ' 674' ' ' VAL . 0.3 OUTLIER -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -85.32 51.65 4.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 49.2 t -137.03 70.78 56.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.9 m 66.55 41.09 3.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.42 118.22 31.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 130.84 171.55 12.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 88.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -113.67 -23.04 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 58.5 mt 50.26 70.31 2.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.45 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -10.14 59.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 646' ' ' ILE . 39.8 mt -67.17 -11.63 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.76 -29.82 29.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 2.1 m -55.02 -48.89 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.78 79.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.3 mmm -66.03 -48.62 70.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 647' ' ' ALA . 69.1 t -59.4 -45.44 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.78 -40.87 98.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.24 -47.2 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.705 HD23 HD23 ' B' ' 654' ' ' LEU . 20.8 mt -56.16 -48.17 76.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 659' ' ' VAL . 69.8 mt -62.81 -48.93 76.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.699 ' O ' HG23 ' A' ' 660' ' ' VAL . 37.8 mt -59.45 -39.97 85.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' B' ' 654' ' ' LEU . 24.7 mt -58.13 -52.27 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 20.2 mt -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 655' ' ' LEU . 60.6 t -62.88 -36.8 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 656' ' ' LEU . 77.5 t -64.9 -45.22 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.785 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -59.78 -47.82 84.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.777 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.6 mt -55.41 -50.38 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.59 -53.4 46.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.624 HG22 ' CE ' ' A' ' 668' ' ' MET . 70.7 mt -56.88 -38.94 61.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.61 -51.71 57.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.49 -31.6 72.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -73.27 -51.38 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.624 ' CE ' HG22 ' A' ' 664' ' ' ILE . 56.9 mtm -57.77 -31.05 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.598 ' CD ' HD22 ' B' ' 666' ' ' LEU . 1.5 mtt180 -56.03 -24.99 42.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -146.94 109.17 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -136.51 132.39 35.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -123.1 174.31 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mp -109.87 111.21 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 138.99 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -119.17 176.44 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -113.1 177.77 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 173.8 124.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.3 m 59.68 70.25 1.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -29.71 23.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.9 p -64.82 -28.33 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -93.23 152.6 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.92 71.9 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.403 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -139.2 116.96 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 31.0 mt -142.29 69.41 22.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -10.4 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.41 -11.64 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.623 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -53.46 -29.56 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 32.2 m -55.22 -49.14 72.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.95 82.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 55.0 mmm -66.11 -47.42 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.623 HG23 ' O ' ' B' ' 647' ' ' ALA . 93.3 t -60.15 -44.68 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.53 -40.77 99.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.96 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.705 HD23 HD23 ' A' ' 654' ' ' LEU . 21.7 mt -56.45 -48.6 76.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 659' ' ' VAL . 63.6 mt -62.14 -48.92 77.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' B' ' 660' ' ' VAL . 34.6 mt -59.64 -40.67 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 654' ' ' LEU . 22.7 mt -57.24 -52.36 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 19.1 mt -56.05 -45.41 79.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 655' ' ' LEU . 56.5 t -62.28 -36.66 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.9 t -64.07 -49.63 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.777 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -56.59 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.785 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 18.7 mt -55.05 -50.92 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -62.88 -53.78 38.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.623 HG22 ' CE ' ' B' ' 668' ' ' MET . 93.2 mt -53.97 -39.62 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.89 -50.02 69.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.598 HD22 ' CD ' ' A' ' 669' ' ' ARG . 35.0 mt -66.46 -28.98 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -76.22 -52.04 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.623 ' CE ' HG22 ' B' ' 664' ' ' ILE . 52.4 mtm -54.98 -52.91 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -74.46 -47.83 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 47.75 31.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -167.89 -178.16 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -162.08 137.23 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.475 ' O ' HG23 ' B' ' 673' ' ' ILE . 1.2 tt -83.98 104.1 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.69 148.1 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.27 154.33 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.61 161.6 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 128.66 72.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.0 t -175.06 73.21 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.4 p 60.75 29.08 18.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -51.46 144.76 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 166.04 76.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.52 34.24 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -171.13 142.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.6 mt -118.16 71.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -167.52 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 0.0 112.299 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.32 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 646' ' ' ILE . 48.7 mt -65.8 -13.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.17 -32.43 36.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.5 m -52.72 -48.97 66.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.75 -37.71 84.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.1 mmm -64.4 -48.32 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.334 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 647' ' ' ALA . 46.5 t -59.52 -46.7 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.34 97.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.69 62.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.581 HD23 HD23 ' B' ' 654' ' ' LEU . 20.6 mt -60.32 -47.84 84.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 659' ' ' VAL . 71.3 mt -62.84 -46.02 89.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 660' ' ' VAL . 29.8 mt -63.63 -38.28 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.62 HD22 HD11 ' B' ' 658' ' ' LEU . 19.7 mt -58.75 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.608 HD11 HD22 ' B' ' 657' ' ' LEU . 18.3 mt -58.6 -41.78 86.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.8 t -64.19 -35.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 656' ' ' LEU . 79.4 t -65.91 -43.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.752 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -62.42 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.775 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.4 mt -60.44 -50.19 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.97 -49.56 66.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.608 HG22 ' CE ' ' A' ' 668' ' ' MET . 27.2 mt -57.38 -44.14 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.16 -52.19 52.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.24 -33.98 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -67.17 -50.88 59.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.608 ' CE ' HG22 ' A' ' 664' ' ' ILE . 52.7 mtm -62.14 -31.57 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -28.88 67.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -55.24 -25.94 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -167.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.14 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 673' ' ' ILE . 1.1 tt -62.24 98.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.91 137.18 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 -90.22 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.13 109.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -170.41 -128.45 1.02 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.9 m -118.42 68.07 7.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -20.81 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 70.0 p -54.38 -32.91 58.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -117.14 155.19 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.42 74.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 107.68 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -142.69 125.36 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 27.3 mt -129.11 70.86 81.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.547 ' HB2' HD12 ' B' ' 646' ' ' ILE . 53.8 Cg_endo -69.76 -169.1 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -12.01 60.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' B' ' 644' ' ' PRO . 4.7 mp -66.58 -14.62 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.684 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.45 -32.1 25.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -53.09 -48.98 67.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.63 -37.58 85.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 73.5 mmm -64.18 -48.14 77.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 647' ' ' ALA . 46.3 t -59.83 -47.11 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.24 96.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.427 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.13 61.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 654' ' ' LEU . 20.2 mt -59.47 -47.75 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.654 ' O ' HG23 ' B' ' 659' ' ' VAL . 67.5 mt -62.18 -46.5 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.7 mt -63.19 -38.49 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 658' ' ' LEU . 21.7 mt -58.24 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.62 HD11 HD22 ' A' ' 657' ' ' LEU . 17.9 mt -58.54 -42.1 87.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.1 t -64.02 -35.77 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.8 t -65.78 -43.68 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.42 -44.95 95.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.752 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.3 mt -60.54 -50.12 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.22 66.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.593 HG22 ' CE ' ' B' ' 668' ' ' MET . 34.7 mt -58.29 -43.62 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.92 60.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.547 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.74 -34.3 76.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -66.61 -51.26 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.593 ' CE ' HG22 ' B' ' 664' ' ' ILE . 53.2 mtm -61.04 -35.81 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -63.16 -36.62 84.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 52.12 58.45 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -128.23 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -156.99 107.64 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 46.4 mt -136.02 125.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 674' ' ' VAL . . . . . 0.402 HG13 ' O ' ' B' ' 674' ' ' VAL . 6.4 p -121.82 122.38 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -136.84 174.24 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -102.92 -25.59 13.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -134.7 73.89 0.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 6.3 p -165.81 69.18 1.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -4.2 13.52 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.728 2.285 . . . . 0.0 112.291 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.99 26.85 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -121.66 113.21 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -162.16 73.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 121.65 8.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -153.19 122.63 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.9 mt -142.87 70.7 19.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.83 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -10.22 59.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.28 -12.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.5 -31.64 24.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 3.7 m -53.08 -49.96 65.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.0 -37.56 87.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.0 mmm -64.57 -47.13 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 647' ' ' ALA . 66.7 t -59.9 -46.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.54 98.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.36 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.593 HD23 HD23 ' B' ' 654' ' ' LEU . 20.9 mt -58.68 -47.83 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 659' ' ' VAL . 68.1 mt -62.0 -46.25 90.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.0 mt -63.37 -37.64 88.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.536 HD22 HD11 ' B' ' 658' ' ' LEU . 24.8 mt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.548 HD11 HD22 ' B' ' 657' ' ' LEU . 19.7 mt -58.44 -42.04 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.4 t -63.88 -35.88 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 656' ' ' LEU . 73.8 t -65.91 -44.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.49 -45.96 92.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.775 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.2 mt -59.95 -50.52 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.29 -48.88 66.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.591 HG22 ' CE ' ' A' ' 668' ' ' MET . 27.7 mt -58.04 -45.21 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.78 -51.7 53.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.625 HD22 HH11 ' B' ' 669' ' ' ARG . 20.4 mt -68.08 -34.94 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.03 -51.18 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.591 ' CE ' HG22 ' A' ' 664' ' ' ILE . 54.3 mtm -60.75 -38.04 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -62.98 -29.34 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -119.14 94.62 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -146.54 137.32 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' HIS . . . . . 0.579 ' O ' HD13 ' A' ' 673' ' ' ILE . 27.7 m170 -79.67 108.63 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 672' ' ' HIS . 28.7 mm -130.18 122.22 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.68 149.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -118.19 163.1 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -92.05 160.71 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -114.76 41.41 2.18 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 49.0 t -155.92 70.39 5.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.04 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 90.8 m -160.63 87.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -60.68 -46.07 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.56 20.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.36 19.07 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -151.6 110.76 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.66 72.4 30.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.57 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.42 -12.24 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 29.8 mm -66.68 -12.38 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.608 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.66 -31.78 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 m -53.26 -49.74 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.19 -37.36 86.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 70.2 mmm -64.44 -47.11 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 647' ' ' ALA . 63.8 t -60.44 -46.83 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.23 98.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.87 -45.68 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 654' ' ' LEU . 20.8 mt -58.62 -47.86 82.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.626 ' O ' HG23 ' B' ' 659' ' ' VAL . 62.7 mt -61.93 -46.41 89.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.2 mt -63.31 -37.77 88.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 658' ' ' LEU . 23.2 mt -59.19 -52.02 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.536 HD11 HD22 ' A' ' 657' ' ' LEU . 19.7 mt -58.55 -42.29 87.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 655' ' ' LEU . 58.0 t -63.93 -35.75 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.2 t -65.75 -44.07 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.9 -45.74 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.737 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 28.6 mt -60.48 -50.34 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -48.37 77.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.594 HG22 ' CE ' ' B' ' 668' ' ' MET . 37.8 mt -57.6 -44.35 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.87 -50.87 61.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.99 -31.91 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -69.47 -51.5 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.594 ' CE ' HG22 ' B' ' 664' ' ' ILE . 55.4 mtm -57.73 -44.29 85.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 669' ' ' ARG . . . . . 0.625 HH11 HD22 ' A' ' 666' ' ' LEU . 0.0 OUTLIER -70.75 -47.79 57.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 43.01 37.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -158.13 179.44 9.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 9.1 m170 61.24 50.93 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 59.2 mt -92.43 -43.75 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.21 177.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -156.59 139.41 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -58.26 -59.29 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 137.84 70.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 67.1 m 55.63 74.42 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' PRO . . . . . 0.518 ' O ' HG23 ' A' ' 638' ' ' THR . 53.8 Cg_endo -69.79 -45.92 1.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 638' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 637' ' ' PRO . 0.1 OUTLIER -170.08 87.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -113.13 144.65 42.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.53 169.59 35.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 123.99 10.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.51 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.68 69.18 79.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 111.159 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -167.25 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -11.12 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 646' ' ' ILE . 41.0 mt -66.43 -12.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.69 -32.09 28.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 8.5 m -52.7 -49.17 65.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.69 -38.07 85.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 82.5 mmm -64.21 -48.6 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 647' ' ' ALA . 58.1 t -59.07 -47.03 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.49 97.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.28 -46.91 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.543 HD23 HD23 ' B' ' 654' ' ' LEU . 19.6 mt -56.46 -47.69 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 mt -62.48 -46.87 86.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.3 mt -62.28 -38.17 88.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.46 -52.1 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.46 -43.23 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 655' ' ' LEU . 47.2 t -63.22 -35.83 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 656' ' ' LEU . 79.8 t -66.25 -43.04 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.815 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -62.14 -45.62 92.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.808 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 22.8 mt -58.29 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.578 HG22 ' CE ' ' A' ' 668' ' ' MET . 47.9 mt -57.93 -44.36 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.54 -49.18 71.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.49 HD22 ' HD2' ' B' ' 669' ' ' ARG . 23.3 mt -70.85 -33.73 70.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -66.12 -51.47 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.578 ' CE ' HG22 ' A' ' 664' ' ' ILE . 54.8 mtm -59.47 -51.22 70.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.451 ' HG3' HD22 ' B' ' 666' ' ' LEU . 6.1 mtm180 -63.44 -33.1 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 58.25 52.73 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -100.27 113.61 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -150.05 176.51 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 81.3 mt -94.65 104.23 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 41.1 t -104.23 -33.57 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -59.9 129.7 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.0 132.97 40.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 106.7 -121.56 6.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.69 156.38 71.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.95 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m 50.76 39.41 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -84.44 117.23 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 151.51 68.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.15 111.96 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 72.35 35.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.632 0.729 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.622 ' CG ' HD12 ' B' ' 646' ' ' ILE . 53.6 Cg_endo -69.84 -167.56 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -14.07 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.622 HD12 ' CG ' ' B' ' 644' ' ' PRO . 2.8 mt -66.77 -13.46 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.641 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.34 -32.28 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.2 -48.7 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.64 -37.85 85.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 63.4 mmm -64.56 -46.54 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 647' ' ' ALA . 58.6 t -60.55 -47.28 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.8 97.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.36 -46.19 56.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.543 HD23 HD23 ' A' ' 654' ' ' LEU . 20.1 mt -56.98 -47.52 80.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.664 ' O ' HG23 ' B' ' 659' ' ' VAL . 69.4 mt -62.96 -46.31 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.711 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.5 mt -62.55 -38.92 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.412 ' CD1' HD22 ' A' ' 654' ' ' LEU . 24.0 mt -58.85 -52.03 67.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.3 -43.0 82.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 655' ' ' LEU . 47.2 t -63.86 -36.05 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 656' ' ' LEU . 79.4 t -64.72 -44.9 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.808 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.68 -44.74 96.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.815 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 21.2 mt -58.25 -51.34 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.34 66.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.581 HG22 ' CE ' ' B' ' 668' ' ' MET . 58.8 mt -56.46 -44.49 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.56 71.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' A' ' 669' ' ' ARG . 25.2 mt -70.15 -33.45 71.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.88 -51.72 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.581 ' CE ' HG22 ' B' ' 664' ' ' ILE . 52.2 mtm -59.77 -43.49 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 669' ' ' ARG . . . . . 0.49 ' HD2' HD22 ' A' ' 666' ' ' LEU . 0.0 OUTLIER -72.98 -24.82 60.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.02 -39.1 83.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -80.19 -75.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -127.19 146.47 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.76 114.11 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.55 140.67 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -143.03 171.59 13.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -138.85 135.83 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 119.46 156.35 10.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.2 t 57.14 74.15 0.7 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.652 0.739 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 637' ' ' PRO . . . . . 0.523 ' O ' HG23 ' A' ' 638' ' ' THR . 54.0 Cg_endo -69.79 -47.28 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 638' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 637' ' ' PRO . 0.2 OUTLIER -168.83 86.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -111.28 119.58 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.09 69.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 128.6 16.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -157.53 131.98 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 43.1 mt -131.97 68.33 80.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.559 ' HB2' HD12 ' A' ' 646' ' ' ILE . 53.8 Cg_endo -69.78 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -12.17 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 644' ' ' PRO . 4.8 mp -67.05 -14.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.9 -32.05 30.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -53.42 -49.93 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.61 85.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 68.4 mmm -65.68 -49.14 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 647' ' ' ALA . 87.9 t -59.01 -46.02 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.83 -40.32 98.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.09 -46.0 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.532 HD23 HD23 ' B' ' 654' ' ' LEU . 20.1 mt -55.87 -47.57 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 659' ' ' VAL . 66.0 mt -63.08 -47.43 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.6 mt -60.53 -39.5 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' B' ' 654' ' ' LEU . 24.4 mt -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 21.1 mt -55.91 -44.98 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.3 t -61.96 -37.05 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 656' ' ' LEU . 76.4 t -64.28 -47.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.805 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -58.14 -45.59 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.807 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 21.3 mt -56.36 -50.98 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.47 42.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.605 HG22 ' CE ' ' A' ' 668' ' ' MET . 90.0 mt -57.42 -36.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.32 -50.95 61.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.549 HD13 ' HD2' ' B' ' 669' ' ' ARG . 40.7 mt -62.52 -31.19 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -75.81 -51.69 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.605 ' CE ' HG22 ' A' ' 664' ' ' ILE . 50.0 mtm -55.65 -31.26 62.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.545 ' HD3' HD22 ' B' ' 666' ' ' LEU . 3.3 mtm180 -55.51 -47.1 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.14 38.73 2.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -128.4 130.69 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' HIS . . . . . 0.581 ' O ' HD13 ' A' ' 673' ' ' ILE . 6.9 m-70 -99.12 175.47 5.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 672' ' ' HIS . 32.2 mm -137.78 126.03 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 62.3 t -104.97 139.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -95.85 128.98 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 138.29 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -65.9 -172.06 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.86 71.83 80.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 5.1 m -54.21 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.22 127.55 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.09 42.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -144.04 106.96 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 19.5 mm -115.44 69.99 2.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -169.58 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -10.1 59.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 31.8 mm -66.86 -12.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.56 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -54.08 -31.05 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 43.1 m -54.43 -49.54 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.05 -36.88 86.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 52.3 mmm -65.53 -48.94 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 647' ' ' ALA . 89.5 t -58.47 -46.25 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.72 -40.59 98.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.45 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.532 HD23 HD23 ' A' ' 654' ' ' LEU . 20.4 mt -56.49 -47.58 78.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 659' ' ' VAL . 70.8 mt -62.97 -47.35 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.0 mt -60.67 -40.24 91.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 654' ' ' LEU . 24.6 mt -58.34 -51.92 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 20.0 mt -56.06 -44.97 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 655' ' ' LEU . 91.0 t -62.05 -36.42 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 656' ' ' LEU . 80.0 t -64.03 -49.46 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.807 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -57.41 -44.96 85.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.805 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 18.9 mt -56.26 -50.89 70.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -62.54 -54.58 33.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.613 HG22 ' CE ' ' B' ' 668' ' ' MET . 81.4 mt -56.42 -36.59 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.072 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.11 59.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.545 HD22 ' HD3' ' A' ' 669' ' ' ARG . 30.0 mt -62.32 -30.36 71.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -76.27 -50.53 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.613 ' CE ' HG22 ' B' ' 664' ' ' ILE . 50.2 mtm -60.44 -52.47 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 669' ' ' ARG . . . . . 0.549 ' HD2' HD13 ' A' ' 666' ' ' LEU . 4.0 mtt180 -72.78 -48.41 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 48.74 27.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -157.46 -176.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -79.92 172.46 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.463 ' O ' HG23 ' B' ' 673' ' ' ILE . 1.2 tt -92.77 106.34 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.1 112.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -115.47 -32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -63.33 170.6 2.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 101.08 -121.82 7.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 7.4 m 59.39 71.19 0.97 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.691 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' PRO . . . . . 0.4 ' C ' HG23 ' A' ' 638' ' ' THR . 53.9 Cg_endo -69.74 -4.39 13.92 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 638' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 637' ' ' PRO . 1.3 p 61.95 27.19 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -53.05 147.87 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 133.73 70.42 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 121.94 8.63 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -131.61 118.35 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.79 70.36 73.01 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.583 ' HB2' HD12 ' A' ' 646' ' ' ILE . 54.2 Cg_endo -69.77 -168.8 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.334 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.98 -12.94 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 644' ' ' PRO . 4.8 mp -67.44 -13.59 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.39 -30.04 27.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.8 m -55.12 -48.47 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.35 -36.13 77.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.4 mmm -65.92 -46.86 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 647' ' ' ALA . 62.1 t -61.09 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.97 -40.11 96.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.1 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.629 HD23 HD23 ' B' ' 654' ' ' LEU . 21.1 mt -55.93 -47.93 76.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 659' ' ' VAL . 65.6 mt -62.35 -46.33 89.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.5 mt -62.86 -37.62 87.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.88 -52.09 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.594 HD11 HD22 ' B' ' 657' ' ' LEU . 19.4 mt -58.13 -41.71 84.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.4 t -64.26 -36.0 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 656' ' ' LEU . 78.8 t -65.93 -43.53 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.748 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.99 -46.18 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.768 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 28.1 mt -59.24 -50.55 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.45 65.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.601 HG22 ' CE ' ' A' ' 668' ' ' MET . 28.0 mt -57.19 -45.34 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.22 -50.32 62.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.18 -34.61 75.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.54 -51.14 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.601 ' CE ' HG22 ' A' ' 664' ' ' ILE . 52.1 mtm -61.43 -38.02 85.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -36.29 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -116.52 94.67 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -138.97 135.03 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -86.7 159.98 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 673' ' ' ILE . 1.1 pp -143.91 153.09 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.0 150.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.9 168.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -112.8 177.61 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 156.37 49.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.4 p -162.02 156.55 19.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 78.55 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.658 2.238 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 11.9 p 50.05 40.0 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -101.53 157.12 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.7 -176.06 23.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.65 6.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.282 . . . . 0.0 112.35 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -43.75 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.0 68.36 75.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.07 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -9.99 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.406 HG22 ' O ' ' B' ' 646' ' ' ILE . 40.3 mt -67.45 -11.96 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.653 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -53.18 -28.37 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.6 m -56.0 -49.13 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.99 75.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 71.5 mmm -66.28 -48.93 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 647' ' ' ALA . 63.8 t -59.7 -45.95 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.19 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.37 -44.26 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 654' ' ' LEU . 20.8 mt -59.7 -47.77 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 659' ' ' VAL . 72.6 mt -63.52 -47.3 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 660' ' ' VAL . 33.7 mt -62.62 -37.44 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.594 HD22 HD11 ' A' ' 658' ' ' LEU . 19.0 mt -59.63 -52.29 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.98 -42.46 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 655' ' ' LEU . 62.0 t -63.49 -35.99 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 656' ' ' LEU . 79.2 t -65.73 -43.9 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.768 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.748 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 28.3 mt -59.62 -50.4 74.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.95 -49.2 68.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.605 HG22 ' CE ' ' B' ' 668' ' ' MET . 29.6 mt -57.69 -44.36 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.916 0.388 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.98 -50.58 63.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 24.2 mt -68.42 -34.24 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -66.67 -51.12 59.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.605 ' CE ' HG22 ' B' ' 664' ' ' ILE . 53.2 mtm -60.94 -36.89 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -46.17 84.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.58 34.93 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -152.43 141.24 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -157.57 90.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.02 118.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 674' ' ' VAL . . . . . 0.441 HG13 ' O ' ' B' ' 674' ' ' VAL . 3.2 p -105.54 112.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -159.93 176.29 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -64.17 155.06 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.18 4.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.99 70.71 60.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -15.11 36.98 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 6.7 m -52.43 -61.23 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -104.18 162.94 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 156.26 67.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.67 36.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -159.36 129.7 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.85 69.25 81.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.709 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.0 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.53 -9.85 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 646' ' ' ILE . 41.1 mt -68.22 -10.97 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.635 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -55.3 -28.06 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 2.4 m -55.92 -49.09 74.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.38 -35.68 69.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 64.6 mmm -66.59 -45.9 77.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 647' ' ' ALA . 95.4 t -62.84 -44.99 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.55 -40.76 99.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.22 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.544 HD23 HD23 ' B' ' 654' ' ' LEU . 19.3 mt -56.39 -48.16 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 659' ' ' VAL . 77.1 mt -63.39 -46.97 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.0 mt -60.9 -38.21 84.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.6 -52.15 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.9 -44.68 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 655' ' ' LEU . 61.0 t -62.6 -36.79 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.6 t -64.96 -43.22 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.799 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.786 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 22.0 mt -56.66 -49.04 76.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.11 -51.7 57.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.625 HG22 ' CE ' ' A' ' 668' ' ' MET . 45.4 mt -57.89 -38.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -60.51 -51.85 56.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.692 ' HB3' HG21 ' B' ' 673' ' ' ILE . 42.2 mt -61.78 -30.83 71.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -75.98 -51.78 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.625 ' CE ' HG22 ' A' ' 664' ' ' ILE . 59.9 mtm -55.59 -30.29 60.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.589 ' CD ' HD22 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -55.13 -34.25 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 107.56 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -107.03 -34.69 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -109.76 173.49 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.23 -64.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.2 m -104.0 177.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.97 -34.16 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.12 166.12 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 177.15 -114.74 0.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 17.1 t -161.51 73.41 2.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 36.4 m -160.41 79.77 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -99.81 116.05 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -171.9 178.1 44.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.49 35.53 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -135.93 122.05 20.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 32.7 mt -129.17 68.0 79.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.569 ' HB2' HD12 ' B' ' 646' ' ' ILE . 53.6 Cg_endo -69.79 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -12.31 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' B' ' 644' ' ' PRO . 4.3 mp -68.3 -13.24 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.64 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -54.78 -29.84 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 6.8 m -54.91 -49.47 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.64 -37.34 84.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 57.3 mmm -65.89 -45.16 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 647' ' ' ALA . 84.9 t -61.85 -43.83 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.05 99.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.35 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.544 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -56.61 -47.69 79.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.507 ' O ' HG23 ' B' ' 659' ' ' VAL . 59.0 mt -62.62 -48.29 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.733 ' O ' HG23 ' B' ' 660' ' ' VAL . 34.7 mt -60.31 -40.26 89.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.455 ' CD1' HD22 ' A' ' 654' ' ' LEU . 23.9 mt -57.87 -52.0 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.47 -44.8 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 655' ' ' LEU . 59.0 t -62.07 -36.05 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 656' ' ' LEU . 76.5 t -64.17 -48.21 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.786 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.799 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.4 mt -57.17 -51.14 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.52 58.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.611 HG22 ' CE ' ' B' ' 668' ' ' MET . 90.7 mt -57.71 -38.06 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.81 -50.46 65.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.589 HD22 ' CD ' ' A' ' 669' ' ' ARG . 30.0 mt -65.53 -29.14 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.5 -51.45 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.611 ' CE ' HG22 ' B' ' 664' ' ' ILE . 54.0 mtm -54.8 -53.22 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 669' ' ' ARG . . . . . 0.437 ' HD2' HD13 ' A' ' 666' ' ' LEU . 0.4 OUTLIER -75.82 -49.51 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 31.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -155.92 -176.85 6.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -84.27 140.9 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 666' ' ' LEU . 0.9 OUTLIER -110.43 112.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.98 122.98 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -104.75 -37.17 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -52.3 -56.72 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.916 0.388 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 152.06 116.15 0.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 41.9 t 53.04 71.12 1.52 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' PRO . . . . . 0.544 ' O ' HG23 ' A' ' 638' ' ' THR . 53.3 Cg_endo -69.8 -48.5 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 638' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 637' ' ' PRO . 0.6 OUTLIER -164.62 92.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -152.57 148.07 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 104.29 72.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.87 5.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -128.83 117.28 20.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.8 mt -133.27 74.34 72.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.571 ' HG2' HG22 ' A' ' 646' ' ' ILE . 53.6 Cg_endo -69.79 -167.17 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -10.29 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.571 HG22 ' HG2' ' A' ' 644' ' ' PRO . 1.6 tp -64.19 -15.12 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -48.45 -34.33 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 10.4 m -52.18 -51.19 59.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.67 -33.65 85.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.76 -52.36 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 647' ' ' ALA . 21.5 t -60.19 -44.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.23 -37.84 95.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.05 -46.16 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.557 HD23 HD23 ' B' ' 654' ' ' LEU . 16.9 mt -61.15 -48.14 82.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 659' ' ' VAL . 44.7 mt -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.2 mt -64.23 -38.86 92.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.781 HD22 HD11 ' B' ' 658' ' ' LEU . 18.5 mt -57.04 -52.31 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.761 HD11 HD22 ' B' ' 657' ' ' LEU . 17.8 mt -59.95 -40.98 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 655' ' ' LEU . 75.5 t -65.19 -35.75 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.7 t -65.96 -44.13 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.92 -45.36 94.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.688 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.8 mt -60.36 -50.53 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -49.58 68.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.59 HG22 ' CE ' ' A' ' 668' ' ' MET . 34.8 mt -57.12 -43.87 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.46 -51.14 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.56 -33.96 75.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.68 -51.52 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.59 ' CE ' HG22 ' A' ' 664' ' ' ILE . 55.4 mtm -59.4 -41.06 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -60.98 -26.27 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -121.82 96.09 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -136.16 133.93 37.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -83.41 171.19 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 32.0 mm -117.32 110.49 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.64 152.13 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.25 -33.41 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -60.63 149.48 34.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.99 152.12 18.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 21.0 t -118.38 69.2 7.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -25.25 28.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 15.0 t -58.43 -30.0 66.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -81.3 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 135.41 -170.06 23.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.53 60.71 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.353 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -162.04 127.0 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 32.0 mt -139.94 72.53 34.33 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.5 ' HB2' HD12 ' B' ' 646' ' ' ILE . 53.7 Cg_endo -69.81 -169.44 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.5 HD12 ' HB2' ' B' ' 644' ' ' PRO . 4.4 mp -65.59 -15.23 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -48.59 -32.94 8.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.4 m -52.32 -51.59 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.85 -34.28 86.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 77.5 mmm -62.47 -52.77 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 647' ' ' ALA . 21.5 t -60.54 -44.84 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.58 95.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.62 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 654' ' ' LEU . 16.2 mt -60.52 -48.24 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.675 ' O ' HG23 ' B' ' 659' ' ' VAL . 48.2 mt -61.7 -46.88 87.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.698 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.6 mt -63.84 -38.91 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.761 HD22 HD11 ' A' ' 658' ' ' LEU . 18.7 mt -56.89 -52.35 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.781 HD11 HD22 ' A' ' 657' ' ' LEU . 17.5 mt -59.65 -41.35 90.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.0 t -64.96 -35.74 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 656' ' ' LEU . 77.6 t -65.74 -44.4 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -61.85 -44.99 95.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.709 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.7 mt -60.72 -50.52 73.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.82 -49.97 67.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.588 HG22 ' CE ' ' B' ' 668' ' ' MET . 47.2 mt -57.06 -42.93 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.11 -51.88 55.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.41 -33.54 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.5 -51.62 48.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.588 ' CE ' HG22 ' B' ' 664' ' ' ILE . 55.1 mtm -59.4 -40.39 86.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -36.58 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 51.72 57.93 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -126.92 125.86 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -159.46 177.51 10.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 65.9 mt -128.65 110.82 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 57.5 t -111.27 128.13 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -93.43 -50.4 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -54.68 172.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -111.92 -122.09 4.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 24.4 t -146.84 69.17 12.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -6.63 19.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 m 66.08 39.4 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -52.8 136.19 34.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -133.75 -168.45 11.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 111.39 2.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -128.63 114.87 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.2 mt -139.72 71.61 36.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -167.97 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -10.05 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 646' ' ' ILE . 39.9 mt -66.99 -10.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.88 -26.88 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -47.31 81.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -72.17 -35.52 60.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 45.8 mmm -67.44 -46.46 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 647' ' ' ALA . 98.3 t -63.63 -43.98 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.3 98.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.88 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.688 HD23 HD23 ' B' ' 654' ' ' LEU . 20.7 mt -55.92 -48.02 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 659' ' ' VAL . 70.7 mt -63.27 -47.21 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 660' ' ' VAL . 37.2 mt -60.68 -39.99 90.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' B' ' 654' ' ' LEU . 26.3 mt -58.54 -52.25 66.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.01 -45.38 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 655' ' ' LEU . 96.4 t -62.18 -36.29 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 656' ' ' LEU . 78.6 t -64.82 -44.63 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.802 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.15 -46.7 89.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.808 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.2 mt -57.99 -50.27 73.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.21 -51.26 58.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 668' ' ' MET . 43.7 mt -55.31 -44.27 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.43 -49.82 69.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.92 -32.48 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -68.77 -51.74 37.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.597 ' CE ' HG22 ' A' ' 664' ' ' ILE . 53.2 mtm -59.71 -39.02 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.584 ' HE ' HD22 ' B' ' 666' ' ' LEU . 1.7 mtt-85 -73.49 -25.11 60.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -120.26 94.87 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -138.69 132.51 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -53.88 106.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.03 113.09 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.43 147.64 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -77.53 169.43 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -124.83 144.77 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.922 0.391 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.36 -133.67 3.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.86 73.73 5.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.94 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 10.1 t 37.37 43.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -128.56 118.89 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -95.46 164.11 24.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -175.01 150.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 58.0 mt 61.01 69.75 1.03 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.732 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -9.73 58.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.68 -11.66 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -53.67 -29.29 37.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.9 m -54.52 -47.66 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.47 -38.09 62.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 54.3 mmm -64.19 -44.67 91.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 647' ' ' ALA . 98.2 t -64.46 -45.44 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.81 97.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.43 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.688 HD23 HD23 ' A' ' 654' ' ' LEU . 20.5 mt -56.5 -47.65 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.0 mt -63.19 -46.69 85.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.1 mt -61.55 -39.15 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.28 -51.98 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.6 -43.77 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.2 t -63.59 -36.28 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 656' ' ' LEU . 75.8 t -65.3 -42.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.808 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -63.04 -47.28 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.802 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 26.1 mt -58.74 -48.0 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -58.33 -51.01 61.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.647 HG22 ' CE ' ' B' ' 668' ' ' MET . 31.8 mt -57.03 -41.04 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 111.157 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.49 -51.57 58.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.533 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.584 HD22 ' HE ' ' A' ' 669' ' ' ARG . 37.9 mt -63.46 -31.9 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -73.41 -51.7 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.647 ' CE ' HG22 ' B' ' 664' ' ' ILE . 56.2 mtm -57.64 -30.45 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -55.54 -25.47 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -62.35 -17.53 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -138.76 -177.9 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 672' ' ' HIS . . . . . 0.54 ' O ' HD13 ' B' ' 673' ' ' ILE . 86.8 m-70 -79.25 148.97 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 672' ' ' HIS . 28.5 mm -138.79 129.09 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.22 146.27 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -166.27 163.75 17.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -94.82 -68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 110.93 -116.2 4.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 7.8 t -173.62 68.11 0.34 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -6.72 19.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.22 39.68 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -51.68 165.25 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' GLY . . . . . 0.483 ' O ' HD11 ' B' ' 646' ' ' ILE . . . -111.08 -166.63 18.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 161.86 44.3 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -167.91 139.99 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.7 mt -123.48 69.41 42.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -167.69 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.33 -9.91 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 646' ' ' ILE . 41.2 mt -67.05 -12.24 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.69 -31.2 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.0 m -53.71 -49.74 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.16 -36.89 86.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 93.1 mmm -65.74 -46.77 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 647' ' ' ALA . 66.3 t -60.1 -46.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.91 98.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.27 -45.69 59.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.552 HD23 HD23 ' B' ' 654' ' ' LEU . 20.4 mt -57.02 -47.89 79.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.8 mt -62.7 -47.07 85.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.7 mt -61.93 -38.43 88.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.33 -51.97 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.26 -43.69 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.5 t -62.79 -35.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 656' ' ' LEU . 72.0 t -65.59 -44.41 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.794 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.07 -45.43 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.812 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 20.1 mt -57.39 -51.57 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.72 -50.59 62.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.569 HG22 ' CE ' ' A' ' 668' ' ' MET . 58.8 mt -56.83 -44.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.44 -50.93 59.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.38 -34.34 74.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.45 -51.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.569 ' CE ' HG22 ' A' ' 664' ' ' ILE . 54.8 mtm -59.27 -44.09 92.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.428 ' HG3' HD22 ' B' ' 666' ' ' LEU . 6.0 mtm180 -66.78 -27.63 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -145.86 98.18 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.74 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -107.71 100.38 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 673' ' ' ILE . 1.1 tt -90.01 108.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.8 139.3 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -81.43 -70.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.69 145.1 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 170.93 92.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.2 t 56.42 73.82 0.77 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.63 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 t -168.25 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -56.62 130.59 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 110.22 78.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -142.49 111.07 6.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 59.5 mt 51.13 70.21 2.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -168.26 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.751 2.301 . . . . 0.0 112.364 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -10.23 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.483 HD11 ' O ' ' A' ' 640' ' ' GLY . 42.0 mt -66.33 -12.65 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.615 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.83 -30.98 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.1 m -53.97 -49.47 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.28 -37.69 86.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 56.1 mmm -65.05 -47.34 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.615 HG23 ' O ' ' B' ' 647' ' ' ALA . 98.9 t -59.64 -46.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.68 98.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.16 -46.04 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.552 HD23 HD23 ' A' ' 654' ' ' LEU . 20.7 mt -56.41 -47.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.673 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.6 mt -63.11 -46.44 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 660' ' ' VAL . 36.1 mt -62.22 -38.05 87.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 654' ' ' LEU . 25.7 mt -59.99 -51.89 67.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.17 -42.72 81.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 655' ' ' LEU . 45.2 t -63.75 -36.29 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.4 t -64.94 -44.44 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.812 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.56 -45.42 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.794 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.9 mt -56.92 -51.43 69.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.32 58.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.579 HG22 ' CE ' ' B' ' 668' ' ' MET . 56.8 mt -55.91 -43.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.03 -51.66 56.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.428 HD22 ' HG3' ' A' ' 669' ' ' ARG . 23.4 mt -68.35 -34.85 76.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.57 -51.69 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.579 ' CE ' HG22 ' B' ' 664' ' ' ILE . 55.7 mtm -58.74 -41.94 87.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -72.23 -24.41 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.8 ttm-85 -58.33 -22.1 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -144.94 -177.45 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -77.23 161.9 27.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.492 HD12 ' O ' ' B' ' 673' ' ' ILE . 1.1 pp -144.24 153.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.31 -178.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -136.34 128.35 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -142.85 126.46 16.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -91.75 77.88 1.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 89.7 m 58.22 69.23 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.49 32.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 31.1 m -66.85 -28.11 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -112.99 100.86 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 158.61 -76.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 78.03 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 121.36 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 63.8 mt 51.12 73.0 1.05 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.608 ' HB2' HD12 ' A' ' 646' ' ' ILE . 53.6 Cg_endo -69.83 -169.29 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -11.35 60.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.608 HD12 ' HB2' ' A' ' 644' ' ' PRO . 3.5 mp -66.64 -14.31 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.02 -30.86 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 21.6 m -54.72 -49.84 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.81 73.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' MET . . . . . 0.413 ' HB3' ' HE2' ' A' ' 650' ' ' MET . 41.9 mmm -65.29 -54.05 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.25 -41.63 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.34 -36.48 78.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.67 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.788 HD23 HD23 ' B' ' 654' ' ' LEU . 19.3 mt -61.7 -48.89 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 659' ' ' VAL . 29.7 mt -64.73 -47.56 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.701 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.4 mt -61.0 -43.9 98.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.841 HD22 HD11 ' B' ' 658' ' ' LEU . 19.9 mt -55.06 -52.24 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.978 HD11 HD22 ' B' ' 657' ' ' LEU . 19.6 mt -55.59 -45.68 77.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 655' ' ' LEU . 58.6 t -64.26 -36.13 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 656' ' ' LEU . 72.6 t -65.31 -45.45 93.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.81 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -60.43 -47.82 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.828 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.9 mt -58.39 -50.79 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.82 61.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.626 HG22 ' CE ' ' A' ' 668' ' ' MET . 71.0 mt -57.9 -40.88 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.148 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.29 86.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.12 -32.74 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -67.83 -51.12 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.626 ' CE ' HG22 ' A' ' 664' ' ' ILE . 51.1 mtm -62.66 -46.97 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -44.71 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -144.57 100.65 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 33.2 ttt-85 -99.29 112.23 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' HIS . . . . . 0.531 ' O ' HD13 ' A' ' 673' ' ' ILE . 2.1 t-80 -126.11 106.69 9.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 672' ' ' HIS . 34.3 mm -135.48 127.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.73 144.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.17 150.03 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 170.67 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 107.83 128.94 5.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 35.0 t -118.54 68.2 7.73 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -6.71 19.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.315 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 66.13 38.97 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -64.41 134.79 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -91.86 -177.35 42.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.73 62.67 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 -17.79 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 20.1 mm -113.24 74.25 1.95 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' B' ' 646' ' ' ILE . 53.9 Cg_endo -69.79 -168.38 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -10.24 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.568 HG22 ' HG2' ' B' ' 644' ' ' PRO . 1.5 tp -64.82 -14.78 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -48.81 -34.97 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.4 m -51.04 -48.73 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.64 -32.95 71.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 55.6 mmm -64.99 -53.97 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 647' ' ' ALA . 30.3 t -60.09 -42.32 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.32 -35.99 77.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.92 -41.09 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.788 HD23 HD23 ' A' ' 654' ' ' LEU . 19.1 mt -62.17 -48.79 78.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.524 ' O ' HG23 ' B' ' 659' ' ' VAL . 19.5 mt -65.69 -45.65 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.682 ' O ' HG23 ' B' ' 660' ' ' VAL . 29.1 mt -62.61 -41.87 99.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.978 HD22 HD11 ' A' ' 658' ' ' LEU . 19.5 mt -57.33 -52.35 65.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.841 HD11 HD22 ' A' ' 657' ' ' LEU . 18.8 mt -55.71 -44.44 77.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 655' ' ' LEU . 70.2 t -65.13 -36.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 656' ' ' LEU . 70.3 t -66.13 -42.62 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.828 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.31 -49.02 77.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.81 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 24.3 mt -58.71 -48.05 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.9 -50.45 65.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.643 HG22 ' CE ' ' B' ' 668' ' ' MET . 32.4 mt -59.16 -39.24 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.892 0.377 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.53 -51.8 56.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 41.6 mt -63.03 -32.26 73.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -73.49 -51.42 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.643 ' CE ' HG22 ' B' ' 664' ' ' ILE . 61.6 mtm -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -56.36 -45.06 80.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -55.31 33.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 62.69 21.49 12.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -170.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 24.7 mm -119.66 110.74 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.05 -19.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -51.9 -40.2 60.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -52.74 -44.88 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 52.61 -167.63 0.97 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 47.6 t -167.57 68.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.738 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 10.1 t 37.47 43.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -121.13 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 163.65 -167.85 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.42 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 111.94 2.94 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -105.16 12.15 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 58.4 mt 50.39 70.63 1.91 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.73 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.29 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -9.78 59.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 646' ' ' ILE . 38.1 mt -68.16 -11.45 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -54.74 -29.01 52.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -55.03 -48.42 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.2 mmm -65.06 -44.7 88.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 647' ' ' ALA . 69.2 t -64.1 -45.04 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.38 -41.42 96.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.39 62.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.574 HD23 HD23 ' B' ' 654' ' ' LEU . 21.1 mt -59.66 -48.36 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.0 mt -63.51 -47.72 80.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.3 mt -62.17 -38.41 88.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.601 HD22 HD11 ' B' ' 658' ' ' LEU . 20.5 mt -58.46 -52.29 66.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.588 HD11 HD22 ' B' ' 657' ' ' LEU . 19.5 mt -58.28 -41.21 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.9 t -65.22 -36.23 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 656' ' ' LEU . 69.1 t -65.25 -44.7 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.53 -46.98 87.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.715 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.0 mt -59.74 -50.15 74.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.61 65.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.588 HG22 ' CE ' ' A' ' 668' ' ' MET . 22.2 mt -58.0 -46.97 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.8 -49.16 62.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.58 -35.19 72.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -63.9 -50.91 66.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.588 ' CE ' HG22 ' A' ' 664' ' ' ILE . 49.6 mtm -63.1 -38.67 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -71.32 -25.14 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -111.68 92.05 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.7 138.59 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 68.3 m170 -56.17 133.09 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.11 113.6 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.24 145.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -90.96 165.83 13.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 -30.56 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -129.86 -116.07 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 95.4 m 53.49 72.73 1.06 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.714 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 92.27 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.4 m 59.34 53.38 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -109.87 137.99 46.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 106.35 70.21 0.75 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 147.12 61.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -87.93 -48.0 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 56.7 mt 49.77 68.68 3.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.549 ' HB2' HD12 ' B' ' 646' ' ' ILE . 53.1 Cg_endo -69.79 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.35 -12.69 60.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.549 HD12 ' HB2' ' B' ' 644' ' ' PRO . 4.5 mp -67.95 -13.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.655 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -52.78 -29.22 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.4 m -55.33 -47.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.36 -37.69 70.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 63.4 mmm -65.17 -42.78 93.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 647' ' ' ALA . 91.8 t -64.95 -45.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.5 97.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.02 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.574 HD23 HD23 ' A' ' 654' ' ' LEU . 21.5 mt -60.05 -48.05 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.678 ' O ' HG23 ' B' ' 659' ' ' VAL . 78.8 mt -63.33 -48.31 78.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.9 mt -61.64 -39.31 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.588 HD22 HD11 ' A' ' 658' ' ' LEU . 20.8 mt -57.56 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.601 HD11 HD22 ' A' ' 657' ' ' LEU . 19.6 mt -57.95 -42.26 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 655' ' ' LEU . 40.6 t -64.68 -36.18 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.7 t -64.82 -44.74 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -62.04 -46.42 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.722 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.4 mt -59.71 -50.32 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.82 -49.03 63.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.609 HG22 ' CE ' ' B' ' 668' ' ' MET . 22.1 mt -57.61 -46.92 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -50.09 59.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.47 -36.28 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.9 -51.17 67.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.609 ' CE ' HG22 ' B' ' 664' ' ' ILE . 49.8 mtm -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -71.71 -25.75 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 ttm-85 -75.22 -7.25 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -117.18 -174.86 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -80.61 -1.65 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 50.5 mm -59.79 96.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.34 151.96 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -73.29 -69.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -58.04 178.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.48 -22.05 25.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.16 160.35 71.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.656 0.741 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 80.15 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 17.2 p 49.59 45.45 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.43 173.27 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.42 75.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.88 2.18 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -113.72 -19.68 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 63.2 mt 51.44 74.97 0.71 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.483 ' HG2' HG22 ' A' ' 646' ' ' ILE . 53.9 Cg_endo -69.73 -166.24 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.24 -11.04 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.483 HG22 ' HG2' ' A' ' 644' ' ' PRO . 4.7 tt -59.66 -18.33 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.66 -36.83 26.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 11.7 m -50.04 -46.24 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.39 64.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.534 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' MET . . . . . 0.44 ' HB3' ' HE3' ' A' ' 650' ' ' MET . 56.8 mmm -64.46 -53.72 43.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 43.2 t -61.1 -43.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.28 -36.33 84.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.0 -40.52 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.754 HD23 HD23 ' B' ' 654' ' ' LEU . 21.2 mt -61.86 -48.56 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 659' ' ' VAL . 92.7 mt -64.89 -46.62 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 660' ' ' VAL . 41.4 mt -62.32 -42.86 99.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.887 HD22 HD11 ' B' ' 658' ' ' LEU . 18.3 mt -55.67 -52.48 63.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.899 HD11 HD22 ' B' ' 657' ' ' LEU . 18.3 mt -55.87 -45.62 78.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 655' ' ' LEU . 48.7 t -64.24 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 656' ' ' LEU . 73.2 t -66.0 -45.26 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.795 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -59.92 -48.2 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.787 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.8 mt -55.55 -50.62 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.95 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.614 HG22 ' CE ' ' A' ' 668' ' ' MET . 69.9 mt -54.61 -41.93 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.06 -52.09 54.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.467 HD22 ' NE ' ' B' ' 669' ' ' ARG . 28.0 mt -65.72 -34.25 77.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.64 -50.94 55.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.614 ' CE ' HG22 ' A' ' 664' ' ' ILE . 53.3 mtm -61.38 -31.43 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.411 ' CD ' HD22 ' B' ' 666' ' ' LEU . 0.7 OUTLIER -56.03 -45.49 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.42 83.4 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -102.68 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -51.69 103.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.61 -29.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.89 137.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -167.16 155.38 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -60.45 143.42 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 136.05 -23.19 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.85 160.51 58.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.82 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 3.0 m 54.12 36.46 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -135.48 155.83 49.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 146.7 70.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.67 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -96.48 -37.97 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 63.4 mt 50.77 72.26 1.29 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.558 ' HG2' HG22 ' B' ' 646' ' ' ILE . 53.7 Cg_endo -69.72 -168.29 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -10.64 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.558 HG22 ' HG2' ' B' ' 644' ' ' PRO . 7.3 tt -63.04 -15.92 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.64 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.3 m -50.95 -47.59 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.41 -32.13 68.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 54.1 mmm -65.03 -54.02 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.46 -42.47 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.61 81.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.67 -41.12 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.754 HD23 HD23 ' A' ' 654' ' ' LEU . 21.2 mt -61.73 -49.01 78.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.527 ' O ' HG23 ' B' ' 659' ' ' VAL . 59.5 mt -64.48 -47.04 80.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 660' ' ' VAL . 28.4 mt -61.87 -43.45 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.899 HD22 HD11 ' A' ' 658' ' ' LEU . 20.1 mt -55.09 -52.48 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.887 HD11 HD22 ' A' ' 657' ' ' LEU . 18.4 mt -55.98 -44.97 79.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 655' ' ' LEU . 60.7 t -64.69 -36.32 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.0 t -66.08 -44.25 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 661' ' ' ALA . . . . . 0.787 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.73 -48.34 82.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.795 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 20.2 mt -55.58 -50.83 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.58 -53.37 45.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.578 HG22 ' CE ' ' B' ' 668' ' ' MET . 63.1 mt -58.58 -38.13 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.88 -50.47 67.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.411 HD22 ' CD ' ' A' ' 669' ' ' ARG . 25.4 mt -67.4 -32.75 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -69.71 -51.32 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 668' ' ' MET . . . . . 0.578 ' CE ' HG22 ' B' ' 664' ' ' ILE . 62.9 mtm -56.35 -51.92 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 669' ' ' ARG . . . . . 0.467 ' NE ' HD22 ' A' ' 666' ' ' LEU . 5.4 mtm180 -65.15 -46.62 80.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.79 32.32 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -136.43 133.08 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 672' ' ' HIS . . . . . 0.641 ' O ' HG23 ' B' ' 674' ' ' VAL . 18.9 m-70 -110.25 177.93 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 10.3 tt -59.4 -27.26 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 674' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 672' ' ' HIS . 5.4 t 63.54 46.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -72.02 -63.47 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -98.75 142.48 30.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.2 mmm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.85 -43.76 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.96 -37.49 87.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.61 -39.68 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.736 HD23 HD23 ' B' ' 654' ' ' LEU . 21.3 mt -61.7 -48.11 82.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 659' ' ' VAL . 50.4 mt -65.51 -46.35 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 660' ' ' VAL . 39.0 mt -62.43 -40.41 96.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.869 HD22 HD11 ' B' ' 658' ' ' LEU . 18.6 mt -58.43 -52.03 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.867 HD11 HD22 ' B' ' 657' ' ' LEU . 19.4 mt -56.38 -44.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 655' ' ' LEU . 95.2 t -63.43 -36.18 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 656' ' ' LEU . 69.1 t -66.12 -44.81 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.762 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -60.48 -47.88 84.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.768 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.2 mt -58.66 -50.48 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.02 65.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.33 -43.69 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.47 -49.29 70.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.937 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.85 87.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.1 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 654' ' ' LEU . 21.4 mt -61.49 -48.44 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 659' ' ' VAL . 97.7 mt -65.48 -46.87 78.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.705 ' O ' HG23 ' B' ' 660' ' ' VAL . 30.7 mt -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.867 HD22 HD11 ' A' ' 658' ' ' LEU . 18.5 mt -58.99 -51.86 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 657' ' ' LEU . 19.3 mt -56.27 -43.77 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 655' ' ' LEU . 62.2 t -63.87 -36.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 656' ' ' LEU . 68.9 t -65.91 -44.92 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.768 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.43 -47.56 85.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.762 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 73.8 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.75 -44.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.86 98.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.4 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.617 HD23 HD23 ' B' ' 654' ' ' LEU . 20.9 mt -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 659' ' ' VAL . 68.0 mt -62.75 -47.2 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.703 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.2 mt -62.79 -37.11 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.597 HD22 HD11 ' B' ' 658' ' ' LEU . 24.5 mt -59.74 -52.3 66.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.619 HD11 HD22 ' B' ' 657' ' ' LEU . 18.8 mt -58.65 -40.72 84.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.8 t -64.62 -35.99 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 656' ' ' LEU . 70.5 t -66.21 -44.41 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.36 -45.88 92.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.756 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.6 mt -60.67 -50.35 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.4 -47.9 66.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.71 -47.09 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -49.11 62.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.915 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.876 0.369 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.1 -41.25 97.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.17 -45.05 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.617 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -59.23 -47.73 84.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.6 mt -63.54 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 660' ' ' VAL . 35.2 mt -63.4 -37.3 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 658' ' ' LEU . 23.2 mt -59.76 -52.38 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.597 HD11 HD22 ' A' ' 657' ' ' LEU . 18.4 mt -58.61 -40.74 84.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 655' ' ' LEU . 91.2 t -64.65 -35.96 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 656' ' ' LEU . 72.0 t -66.2 -44.22 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -61.57 -45.95 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.754 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 30.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.9 mmm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.51 -45.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.77 99.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.65 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.583 HD23 HD23 ' B' ' 654' ' ' LEU . 21.4 mt -61.5 -48.04 82.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.3 mt -64.43 -46.25 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 660' ' ' VAL . 30.6 mt -63.36 -39.4 94.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.783 HD22 HD11 ' B' ' 658' ' ' LEU . 18.9 mt -58.19 -52.4 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.823 HD11 HD22 ' B' ' 657' ' ' LEU . 17.9 mt -58.69 -39.35 80.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 655' ' ' LEU . 63.1 t -66.62 -35.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.6 t -65.92 -44.24 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -62.69 -43.88 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.694 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.9 mt -59.56 -49.81 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.4 87.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . 0.41 HD11 HG12 ' A' ' 660' ' ' VAL . 23.7 mt -56.37 -50.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.37 -49.43 60.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.868 0.366 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.31 -40.44 98.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.21 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.583 HD23 HD23 ' A' ' 654' ' ' LEU . 21.3 mt -62.13 -47.84 82.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.658 ' O ' HG23 ' B' ' 659' ' ' VAL . 70.8 mt -64.38 -45.77 86.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.711 ' O ' HG23 ' B' ' 660' ' ' VAL . 25.7 mt -64.08 -39.78 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.823 HD22 HD11 ' A' ' 658' ' ' LEU . 18.1 mt -57.71 -52.53 65.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.783 HD11 HD22 ' A' ' 657' ' ' LEU . 18.0 mt -58.75 -40.08 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 655' ' ' LEU . 98.4 t -66.02 -36.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 656' ' ' LEU . 72.4 t -65.77 -43.78 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -62.37 -45.96 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.708 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 23.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.6 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.82 -45.75 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.45 97.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.4 -47.28 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.673 HD23 HD23 ' B' ' 654' ' ' LEU . 21.4 mt -56.04 -47.4 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 mt -62.94 -47.52 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.7 mt -61.36 -39.28 90.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.64 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.03 -43.7 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 655' ' ' LEU . 47.6 t -63.49 -36.15 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 656' ' ' LEU . 77.7 t -65.07 -44.61 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.797 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.36 -45.96 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.793 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.2 mt -58.09 -50.79 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.2 -51.3 58.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.72 -43.91 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.21 -50.99 60.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.908 0.385 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.6 97.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.99 53.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.673 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -56.13 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.625 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.9 mt -62.64 -46.65 87.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.5 mt -62.3 -38.63 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.423 ' CD1' HD22 ' A' ' 654' ' ' LEU . 27.1 mt -59.16 -51.87 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.67 -42.45 83.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 655' ' ' LEU . 57.8 t -64.26 -36.05 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 656' ' ' LEU . 77.8 t -65.86 -42.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.793 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -63.29 -46.84 84.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.797 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 25.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.2 mmm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.21 -42.02 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.88 99.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.4 56.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.726 HD23 HD23 ' B' ' 654' ' ' LEU . 21.3 mt -55.85 -48.44 75.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 659' ' ' VAL . 67.7 mt -63.21 -48.16 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 660' ' ' VAL . 39.5 mt -59.94 -40.68 89.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' B' ' 654' ' ' LEU . 27.7 mt -57.61 -52.1 66.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.6 -42.64 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.8 t -65.89 -36.38 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 656' ' ' LEU . 71.3 t -64.72 -42.03 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.818 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -64.34 -47.11 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.802 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.6 mt -60.52 -48.74 80.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.15 -50.45 55.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.95 -42.63 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.45 -50.9 57.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.942 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.811 0.339 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.85 99.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.65 -46.14 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 654' ' ' LEU . 21.1 mt -56.44 -48.26 77.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 659' ' ' VAL . 66.6 mt -63.14 -48.01 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' B' ' 660' ' ' VAL . 43.2 mt -60.24 -40.83 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.429 ' CD1' HD22 ' A' ' 654' ' ' LEU . 27.2 mt -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.444 HD11 HD22 ' A' ' 657' ' ' LEU . 20.4 mt -56.54 -44.17 80.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 655' ' ' LEU . 57.5 t -64.67 -36.32 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.1 t -63.75 -44.7 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.802 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.38 -46.81 86.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.818 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 24.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.29 -42.61 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.67 -38.03 85.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.47 69.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.731 HD23 HD23 ' B' ' 654' ' ' LEU . 22.4 mt -60.47 -48.22 82.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 659' ' ' VAL . 25.7 mt -65.15 -48.44 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 660' ' ' VAL . 51.0 mt -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.63 HD22 HD11 ' B' ' 658' ' ' LEU . 19.4 mt -58.89 -51.92 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.621 HD11 HD22 ' B' ' 657' ' ' LEU . 19.9 mt -55.92 -45.13 78.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 655' ' ' LEU . 62.0 t -62.61 -36.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 656' ' ' LEU . 70.2 t -65.8 -46.64 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.767 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -58.35 -48.28 81.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.783 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.0 mt -55.46 -51.46 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.39 -52.02 52.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.3 -42.77 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.13 67.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.37 -37.63 90.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.37 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.731 HD23 HD23 ' A' ' 654' ' ' LEU . 21.7 mt -60.56 -48.13 83.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 659' ' ' VAL . 23.1 mt -64.59 -49.01 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 660' ' ' VAL . 74.9 mt -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 658' ' ' LEU . 19.0 mt -57.65 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 657' ' ' LEU . 19.3 mt -55.86 -44.96 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 655' ' ' LEU . 60.2 t -63.32 -36.45 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.0 t -65.22 -45.32 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.783 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.21 -47.36 86.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.767 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 55.6 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.96 -44.84 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -66.32 -37.44 92.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.09 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.732 HD23 HD23 ' B' ' 654' ' ' LEU . 22.3 mt -61.57 -47.69 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 659' ' ' VAL . 51.9 mt -65.4 -47.0 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.695 ' O ' HG23 ' A' ' 660' ' ' VAL . 29.9 mt -61.9 -39.82 93.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.74 HD22 HD11 ' B' ' 658' ' ' LEU . 19.5 mt -58.8 -52.11 67.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.891 HD11 HD22 ' B' ' 657' ' ' LEU . 20.8 mt -56.28 -44.29 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 655' ' ' LEU . 69.8 t -62.96 -36.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 656' ' ' LEU . 76.4 t -65.16 -46.58 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.775 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -59.59 -48.24 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.729 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.8 mt -58.48 -50.29 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -48.41 71.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . 0.463 HD11 HG12 ' A' ' 660' ' ' VAL . 22.3 mt -57.9 -46.3 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.15 -46.41 85.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.941 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.904 0.383 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.48 -37.11 89.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -41.21 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.732 HD23 HD23 ' A' ' 654' ' ' LEU . 22.2 mt -61.46 -48.07 82.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.566 ' O ' HG23 ' B' ' 659' ' ' VAL . 63.3 mt -65.57 -45.89 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.699 ' O ' HG23 ' B' ' 660' ' ' VAL . 55.1 mt -62.87 -40.15 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.891 HD22 HD11 ' A' ' 658' ' ' LEU . 19.4 mt -58.53 -52.36 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.74 HD11 HD22 ' A' ' 657' ' ' LEU . 19.8 mt -56.51 -43.09 79.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 655' ' ' LEU . 80.5 t -64.25 -36.28 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.4 t -66.4 -44.54 90.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -60.54 -48.16 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.759 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 30.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.3 mmm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.4 -45.44 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.78 -40.87 98.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.24 -47.2 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.705 HD23 HD23 ' B' ' 654' ' ' LEU . 20.8 mt -56.16 -48.17 76.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 659' ' ' VAL . 69.8 mt -62.81 -48.93 76.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.699 ' O ' HG23 ' A' ' 660' ' ' VAL . 37.8 mt -59.45 -39.97 85.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' B' ' 654' ' ' LEU . 24.7 mt -58.13 -52.27 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 20.2 mt -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 655' ' ' LEU . 60.6 t -62.88 -36.8 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 656' ' ' LEU . 77.5 t -64.9 -45.22 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.785 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -59.78 -47.82 84.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.777 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.6 mt -55.41 -50.38 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.59 -53.4 46.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 70.7 mt -56.88 -38.94 61.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.61 -51.71 57.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 37.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.88 0.372 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.53 -40.77 99.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.96 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.705 HD23 HD23 ' A' ' 654' ' ' LEU . 21.7 mt -56.45 -48.6 76.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 659' ' ' VAL . 63.6 mt -62.14 -48.92 77.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' B' ' 660' ' ' VAL . 34.6 mt -59.64 -40.67 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 654' ' ' LEU . 22.7 mt -57.24 -52.36 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 19.1 mt -56.05 -45.41 79.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 655' ' ' LEU . 56.5 t -62.28 -36.66 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.9 t -64.07 -49.63 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.777 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -56.59 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.785 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 18.7 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.1 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.334 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.52 -46.7 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.34 97.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.69 62.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.581 HD23 HD23 ' B' ' 654' ' ' LEU . 20.6 mt -60.32 -47.84 84.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 659' ' ' VAL . 71.3 mt -62.84 -46.02 89.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 660' ' ' VAL . 29.8 mt -63.63 -38.28 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.62 HD22 HD11 ' B' ' 658' ' ' LEU . 19.7 mt -58.75 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.608 HD11 HD22 ' B' ' 657' ' ' LEU . 18.3 mt -58.6 -41.78 86.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.8 t -64.19 -35.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 656' ' ' LEU . 79.4 t -65.91 -43.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.752 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -62.42 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.775 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.4 mt -60.44 -50.19 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.97 -49.56 66.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 27.2 mt -57.38 -44.14 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.16 -52.19 52.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.88 0.371 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.24 96.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.427 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.13 61.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 654' ' ' LEU . 20.2 mt -59.47 -47.75 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.654 ' O ' HG23 ' B' ' 659' ' ' VAL . 67.5 mt -62.18 -46.5 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.7 mt -63.19 -38.49 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 658' ' ' LEU . 21.7 mt -58.24 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.62 HD11 HD22 ' A' ' 657' ' ' LEU . 17.9 mt -58.54 -42.1 87.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.1 t -64.02 -35.77 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.8 t -65.78 -43.68 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.42 -44.95 95.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.752 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.0 mmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.9 -46.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.54 98.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.36 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.593 HD23 HD23 ' B' ' 654' ' ' LEU . 20.9 mt -58.68 -47.83 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 659' ' ' VAL . 68.1 mt -62.0 -46.25 90.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.0 mt -63.37 -37.64 88.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.536 HD22 HD11 ' B' ' 658' ' ' LEU . 24.8 mt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.548 HD11 HD22 ' B' ' 657' ' ' LEU . 19.7 mt -58.44 -42.04 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.4 t -63.88 -35.88 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 656' ' ' LEU . 73.8 t -65.91 -44.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.49 -45.96 92.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.775 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.2 mt -59.95 -50.52 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.29 -48.88 66.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 27.7 mt -58.04 -45.21 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.78 -51.7 53.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 63.8 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.901 0.382 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.23 98.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.87 -45.68 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 654' ' ' LEU . 20.8 mt -58.62 -47.86 82.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.626 ' O ' HG23 ' B' ' 659' ' ' VAL . 62.7 mt -61.93 -46.41 89.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.2 mt -63.31 -37.77 88.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 658' ' ' LEU . 23.2 mt -59.19 -52.02 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.536 HD11 HD22 ' A' ' 657' ' ' LEU . 19.7 mt -58.55 -42.29 87.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 655' ' ' LEU . 58.0 t -63.93 -35.75 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.2 t -65.75 -44.07 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.9 -45.74 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.737 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 28.6 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 82.5 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.07 -47.03 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.49 97.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.28 -46.91 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.543 HD23 HD23 ' B' ' 654' ' ' LEU . 19.6 mt -56.46 -47.69 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 mt -62.48 -46.87 86.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.3 mt -62.28 -38.17 88.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.46 -52.1 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.46 -43.23 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 655' ' ' LEU . 47.2 t -63.22 -35.83 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 656' ' ' LEU . 79.8 t -66.25 -43.04 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.815 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -62.14 -45.62 92.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.808 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 22.8 mt -58.29 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.93 -44.36 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.54 -49.18 71.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.8 97.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.36 -46.19 56.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.543 HD23 HD23 ' A' ' 654' ' ' LEU . 20.1 mt -56.98 -47.52 80.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.664 ' O ' HG23 ' B' ' 659' ' ' VAL . 69.4 mt -62.96 -46.31 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.711 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.5 mt -62.55 -38.92 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.412 ' CD1' HD22 ' A' ' 654' ' ' LEU . 24.0 mt -58.85 -52.03 67.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.3 -43.0 82.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 655' ' ' LEU . 47.2 t -63.86 -36.05 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 656' ' ' LEU . 79.4 t -64.72 -44.9 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.808 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.68 -44.74 96.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.815 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 21.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 68.4 mmm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 87.9 t -59.01 -46.02 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.83 -40.32 98.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.09 -46.0 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.532 HD23 HD23 ' B' ' 654' ' ' LEU . 20.1 mt -55.87 -47.57 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 659' ' ' VAL . 66.0 mt -63.08 -47.43 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.6 mt -60.53 -39.5 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' B' ' 654' ' ' LEU . 24.4 mt -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 21.1 mt -55.91 -44.98 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.3 t -61.96 -37.05 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 656' ' ' LEU . 76.4 t -64.28 -47.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.805 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -58.14 -45.59 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.807 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 21.3 mt -56.36 -50.98 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.47 42.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . 0.423 HD12 HG12 ' A' ' 660' ' ' VAL . 90.0 mt -57.42 -36.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.32 -50.95 61.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.893 0.378 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.72 -40.59 98.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.45 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.532 HD23 HD23 ' A' ' 654' ' ' LEU . 20.4 mt -56.49 -47.58 78.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 659' ' ' VAL . 70.8 mt -62.97 -47.35 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.0 mt -60.67 -40.24 91.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 654' ' ' LEU . 24.6 mt -58.34 -51.92 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 20.0 mt -56.06 -44.97 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 655' ' ' LEU . 91.0 t -62.05 -36.42 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 656' ' ' LEU . 80.0 t -64.03 -49.46 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.807 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -57.41 -44.96 85.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.805 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 18.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.4 mmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.09 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.97 -40.11 96.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.1 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.629 HD23 HD23 ' B' ' 654' ' ' LEU . 21.1 mt -55.93 -47.93 76.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 659' ' ' VAL . 65.6 mt -62.35 -46.33 89.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.5 mt -62.86 -37.62 87.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.88 -52.09 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.594 HD11 HD22 ' B' ' 657' ' ' LEU . 19.4 mt -58.13 -41.71 84.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.4 t -64.26 -36.0 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 656' ' ' LEU . 78.8 t -65.93 -43.53 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.748 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.99 -46.18 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.768 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 28.1 mt -59.24 -50.55 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.45 65.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 28.0 mt -57.19 -45.34 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.22 -50.32 62.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 63.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.19 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.37 -44.26 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 654' ' ' LEU . 20.8 mt -59.7 -47.77 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 659' ' ' VAL . 72.6 mt -63.52 -47.3 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 660' ' ' VAL . 33.7 mt -62.62 -37.44 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.594 HD22 HD11 ' A' ' 658' ' ' LEU . 19.0 mt -59.63 -52.29 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.98 -42.46 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 655' ' ' LEU . 62.0 t -63.49 -35.99 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 656' ' ' LEU . 79.2 t -65.73 -43.9 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.768 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.748 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 28.3 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 64.6 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.84 -44.99 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.55 -40.76 99.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.22 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.544 HD23 HD23 ' B' ' 654' ' ' LEU . 19.3 mt -56.39 -48.16 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 659' ' ' VAL . 77.1 mt -63.39 -46.97 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.0 mt -60.9 -38.21 84.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.6 -52.15 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.9 -44.68 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 655' ' ' LEU . 61.0 t -62.6 -36.79 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.6 t -64.96 -43.22 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.799 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.786 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 22.0 mt -56.66 -49.04 76.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.11 -51.7 57.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 45.4 mt -57.89 -38.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -60.51 -51.85 56.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.05 99.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.35 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.544 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -56.61 -47.69 79.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.507 ' O ' HG23 ' B' ' 659' ' ' VAL . 59.0 mt -62.62 -48.29 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.733 ' O ' HG23 ' B' ' 660' ' ' VAL . 34.7 mt -60.31 -40.26 89.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.455 ' CD1' HD22 ' A' ' 654' ' ' LEU . 23.9 mt -57.87 -52.0 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.47 -44.8 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 655' ' ' LEU . 59.0 t -62.07 -36.05 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 656' ' ' LEU . 76.5 t -64.17 -48.21 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.786 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.799 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 90.0 mmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.19 -44.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.23 -37.84 95.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.05 -46.16 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.557 HD23 HD23 ' B' ' 654' ' ' LEU . 16.9 mt -61.15 -48.14 82.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 659' ' ' VAL . 44.7 mt -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.2 mt -64.23 -38.86 92.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.781 HD22 HD11 ' B' ' 658' ' ' LEU . 18.5 mt -57.04 -52.31 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.761 HD11 HD22 ' B' ' 657' ' ' LEU . 17.8 mt -59.95 -40.98 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 655' ' ' LEU . 75.5 t -65.19 -35.75 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.7 t -65.96 -44.13 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.92 -45.36 94.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.688 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.8 mt -60.36 -50.53 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -49.58 68.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . 0.433 ' CD1' HG12 ' A' ' 660' ' ' VAL . 34.8 mt -57.12 -43.87 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.46 -51.14 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.895 0.379 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.58 95.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.62 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 654' ' ' LEU . 16.2 mt -60.52 -48.24 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.675 ' O ' HG23 ' B' ' 659' ' ' VAL . 48.2 mt -61.7 -46.88 87.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.698 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.6 mt -63.84 -38.91 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.761 HD22 HD11 ' A' ' 658' ' ' LEU . 18.7 mt -56.89 -52.35 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.781 HD11 HD22 ' A' ' 657' ' ' LEU . 17.5 mt -59.65 -41.35 90.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.0 t -64.96 -35.74 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 656' ' ' LEU . 77.6 t -65.74 -44.4 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -61.85 -44.99 95.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.709 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.7 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 45.8 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.63 -43.98 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.3 98.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.88 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.688 HD23 HD23 ' B' ' 654' ' ' LEU . 20.7 mt -55.92 -48.02 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 659' ' ' VAL . 70.7 mt -63.27 -47.21 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 660' ' ' VAL . 37.2 mt -60.68 -39.99 90.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' B' ' 654' ' ' LEU . 26.3 mt -58.54 -52.25 66.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.01 -45.38 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 655' ' ' LEU . 96.4 t -62.18 -36.29 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 656' ' ' LEU . 78.6 t -64.82 -44.63 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.802 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.15 -46.7 89.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.808 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.2 mt -57.99 -50.27 73.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.21 -51.26 58.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 43.7 mt -55.31 -44.27 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.43 -49.82 69.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.81 97.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.43 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.688 HD23 HD23 ' A' ' 654' ' ' LEU . 20.5 mt -56.5 -47.65 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.0 mt -63.19 -46.69 85.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.1 mt -61.55 -39.15 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.28 -51.98 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.6 -43.77 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.2 t -63.59 -36.28 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 656' ' ' LEU . 75.8 t -65.3 -42.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.808 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -63.04 -47.28 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.802 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 26.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 93.1 mmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.3 t -60.1 -46.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.91 98.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.27 -45.69 59.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.552 HD23 HD23 ' B' ' 654' ' ' LEU . 20.4 mt -57.02 -47.89 79.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.8 mt -62.7 -47.07 85.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.7 mt -61.93 -38.43 88.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.33 -51.97 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.26 -43.69 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.5 t -62.79 -35.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 656' ' ' LEU . 72.0 t -65.59 -44.41 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.794 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.07 -45.43 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.812 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 20.1 mt -57.39 -51.57 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.72 -50.59 62.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 58.8 mt -56.83 -44.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.44 -50.93 59.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.68 98.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.16 -46.04 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.552 HD23 HD23 ' A' ' 654' ' ' LEU . 20.7 mt -56.41 -47.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.673 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.6 mt -63.11 -46.44 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 660' ' ' VAL . 36.1 mt -62.22 -38.05 87.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 654' ' ' LEU . 25.7 mt -59.99 -51.89 67.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.17 -42.72 81.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 655' ' ' LEU . 45.2 t -63.75 -36.29 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.4 t -64.94 -44.44 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.812 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.56 -45.42 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.794 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 41.9 mmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.25 -41.63 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.34 -36.48 78.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.67 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.788 HD23 HD23 ' B' ' 654' ' ' LEU . 19.3 mt -61.7 -48.89 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 659' ' ' VAL . 29.7 mt -64.73 -47.56 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.701 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.4 mt -61.0 -43.9 98.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.841 HD22 HD11 ' B' ' 658' ' ' LEU . 19.9 mt -55.06 -52.24 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.978 HD11 HD22 ' B' ' 657' ' ' LEU . 19.6 mt -55.59 -45.68 77.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 655' ' ' LEU . 58.6 t -64.26 -36.13 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 656' ' ' LEU . 72.6 t -65.31 -45.45 93.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.81 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -60.43 -47.82 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.828 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.9 mt -58.39 -50.79 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.82 61.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.9 -40.88 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.29 86.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.832 0.349 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.32 -35.99 77.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.92 -41.09 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.788 HD23 HD23 ' A' ' 654' ' ' LEU . 19.1 mt -62.17 -48.79 78.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.524 ' O ' HG23 ' B' ' 659' ' ' VAL . 19.5 mt -65.69 -45.65 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.682 ' O ' HG23 ' B' ' 660' ' ' VAL . 29.1 mt -62.61 -41.87 99.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.978 HD22 HD11 ' A' ' 658' ' ' LEU . 19.5 mt -57.33 -52.35 65.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.841 HD11 HD22 ' A' ' 657' ' ' LEU . 18.8 mt -55.71 -44.44 77.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 655' ' ' LEU . 70.2 t -65.13 -36.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 656' ' ' LEU . 70.3 t -66.13 -42.62 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.828 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.31 -49.02 77.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.81 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 24.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.1 -45.04 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.38 -41.42 96.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.39 62.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.574 HD23 HD23 ' B' ' 654' ' ' LEU . 21.1 mt -59.66 -48.36 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.0 mt -63.51 -47.72 80.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.3 mt -62.17 -38.41 88.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.601 HD22 HD11 ' B' ' 658' ' ' LEU . 20.5 mt -58.46 -52.29 66.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.588 HD11 HD22 ' B' ' 657' ' ' LEU . 19.5 mt -58.28 -41.21 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.9 t -65.22 -36.23 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 656' ' ' LEU . 69.1 t -65.25 -44.7 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.53 -46.98 87.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.715 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.0 mt -59.74 -50.15 74.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.61 65.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 22.2 mt -58.0 -46.97 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.8 -49.16 62.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.5 97.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.02 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.574 HD23 HD23 ' A' ' 654' ' ' LEU . 21.5 mt -60.05 -48.05 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.678 ' O ' HG23 ' B' ' 659' ' ' VAL . 78.8 mt -63.33 -48.31 78.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.9 mt -61.64 -39.31 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.588 HD22 HD11 ' A' ' 658' ' ' LEU . 20.8 mt -57.56 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.601 HD11 HD22 ' A' ' 657' ' ' LEU . 19.6 mt -57.95 -42.26 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 655' ' ' LEU . 40.6 t -64.68 -36.18 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.7 t -64.82 -44.74 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -62.04 -46.42 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.722 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 56.8 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 43.2 t -61.1 -43.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.28 -36.33 84.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.0 -40.52 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' LEU . . . . . 0.754 HD23 HD23 ' B' ' 654' ' ' LEU . 21.2 mt -61.86 -48.56 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 659' ' ' VAL . 92.7 mt -64.89 -46.62 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 660' ' ' VAL . 41.4 mt -62.32 -42.86 99.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' LEU . . . . . 0.887 HD22 HD11 ' B' ' 658' ' ' LEU . 18.3 mt -55.67 -52.48 63.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' LEU . . . . . 0.899 HD11 HD22 ' B' ' 657' ' ' LEU . 18.3 mt -55.87 -45.62 78.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 655' ' ' LEU . 48.7 t -64.24 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 656' ' ' LEU . 73.2 t -66.0 -45.26 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.795 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -59.92 -48.2 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.787 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.8 mt -55.55 -50.62 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.95 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 660' ' ' VAL . 69.9 mt -54.61 -41.93 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.06 -52.09 54.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.61 81.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.67 -41.12 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.754 HD23 HD23 ' A' ' 654' ' ' LEU . 21.2 mt -61.73 -49.01 78.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . 0.527 ' O ' HG23 ' B' ' 659' ' ' VAL . 59.5 mt -64.48 -47.04 80.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 656' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 660' ' ' VAL . 28.4 mt -61.87 -43.45 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 657' ' ' LEU . . . . . 0.899 HD22 HD11 ' A' ' 658' ' ' LEU . 20.1 mt -55.09 -52.48 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.887 HD11 HD22 ' A' ' 657' ' ' LEU . 18.4 mt -55.98 -44.97 79.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 655' ' ' LEU . 60.7 t -64.69 -36.32 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 660' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.0 t -66.08 -44.25 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 661' ' ' ALA . . . . . 0.787 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.73 -48.34 82.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 662' ' ' LEU . . . . . 0.795 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 20.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.05 90.19 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 3.2 t -159.78 68.85 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . 0.4 ' C ' HG23 ' A' ' 638' ' ' THR . 54.3 Cg_endo -69.69 -4.3 13.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 637' ' ' PRO . 1.3 p 62.07 27.43 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -73.12 145.63 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 166.96 71.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 98.56 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -173.66 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.2 mt -119.08 74.75 14.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -10.69 60.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.53 -16.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.95 53.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.2 m -50.5 -47.51 57.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.55 -35.2 62.88 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.2 mmm -65.61 -54.27 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 63.1 t -59.85 -43.76 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.96 -37.49 87.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.61 -39.68 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.736 HD23 HD23 ' B' ' 654' ' ' LEU . 21.3 mt -61.7 -48.11 82.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 659' ' ' VAL . 50.4 mt -65.51 -46.35 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 660' ' ' VAL . 39.0 mt -62.43 -40.41 96.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.869 HD22 HD11 ' B' ' 658' ' ' LEU . 18.6 mt -58.43 -52.03 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.867 HD11 HD22 ' B' ' 657' ' ' LEU . 19.4 mt -56.38 -44.08 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 655' ' ' LEU . 95.2 t -63.43 -36.18 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 656' ' ' LEU . 69.1 t -66.12 -44.81 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.762 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -60.48 -47.88 84.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.768 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.2 mt -58.66 -50.48 73.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.02 65.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.609 HG22 ' CE ' ' A' ' 668' ' ' MET . 32.2 mt -59.33 -43.69 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.47 -49.29 70.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.22 -34.17 74.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -66.47 -50.94 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.609 ' CE ' HG22 ' A' ' 664' ' ' ILE . 51.9 mtm -61.99 -36.51 81.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -42.43 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -89.3 4.94 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -113.84 117.89 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 161.96 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.31 107.99 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.48 150.03 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.58 165.63 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 63.16 49.55 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -152.75 -44.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 12.0 t -150.27 73.4 9.19 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.28 29.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 5.4 p -53.56 -57.84 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -135.2 176.01 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 151.71 76.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 126.6 13.51 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -144.42 127.4 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.61 74.82 1.68 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 111.189 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.615 ' HG2' HG22 ' B' ' 646' ' ' ILE . 53.3 Cg_endo -69.81 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.337 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.6 -10.52 59.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.615 HG22 ' HG2' ' B' ' 644' ' ' PRO . 2.4 tt -63.09 -16.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.05 -31.94 14.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.64 -47.46 67.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -72.12 -33.34 62.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 46.4 mmm -67.24 -54.53 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.81 -42.81 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.85 87.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.1 69.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 654' ' ' LEU . 21.4 mt -61.49 -48.44 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 659' ' ' VAL . 97.7 mt -65.48 -46.87 78.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.705 ' O ' HG23 ' B' ' 660' ' ' VAL . 30.7 mt -61.73 -40.04 93.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.867 HD22 HD11 ' A' ' 658' ' ' LEU . 18.5 mt -58.99 -51.86 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 657' ' ' LEU . 19.3 mt -56.27 -43.77 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 655' ' ' LEU . 62.2 t -63.87 -36.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 656' ' ' LEU . 68.9 t -65.91 -44.92 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.768 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.43 -47.56 85.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.762 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.5 mt -59.01 -50.31 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.57 -48.9 67.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.607 HG22 ' CE ' ' B' ' 668' ' ' MET . 31.2 mt -59.76 -43.08 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.93 -48.78 76.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.17 -33.76 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -67.05 -50.99 60.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.607 ' CE ' HG22 ' B' ' 664' ' ' ILE . 51.6 mtm -62.42 -36.17 81.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -45.23 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 50.48 55.28 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -144.07 132.18 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -117.15 -27.48 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.3 pt -107.79 98.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.29 144.11 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -61.32 165.86 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -119.61 135.3 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 93.27 32.12 8.0 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 3.2 t -144.6 68.11 14.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 76.84 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 15.3 p 49.63 43.35 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -129.75 173.1 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 95.1 75.94 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.24 64.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -159.28 130.54 6.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 31.2 mt -134.0 69.72 74.71 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.593 0.711 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -10.87 60.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 28.0 mm -66.56 -11.48 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.98 -29.72 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 20.3 m -54.7 -49.1 71.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.37 -36.75 78.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 73.8 mmm -65.29 -47.88 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 647' ' ' ALA . 61.1 t -60.75 -44.87 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.86 98.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.4 59.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.617 HD23 HD23 ' B' ' 654' ' ' LEU . 20.9 mt -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 659' ' ' VAL . 68.0 mt -62.75 -47.2 84.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.703 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.2 mt -62.79 -37.11 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.597 HD22 HD11 ' B' ' 658' ' ' LEU . 24.5 mt -59.74 -52.3 66.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.619 HD11 HD22 ' B' ' 657' ' ' LEU . 18.8 mt -58.65 -40.72 84.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.8 t -64.62 -35.99 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 656' ' ' LEU . 70.5 t -66.21 -44.41 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.36 -45.88 92.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.756 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.6 mt -60.67 -50.35 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.4 -47.9 66.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.596 HG22 ' CE ' ' A' ' 668' ' ' MET . 22.1 mt -58.71 -47.09 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -49.11 62.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 21.5 mt -70.31 -35.74 73.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.888 0.375 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -63.59 -51.15 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.596 ' CE ' HG22 ' A' ' 664' ' ' ILE . 49.6 mtm -63.0 -37.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -70.43 -25.6 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -70.07 -22.95 63.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -122.58 119.86 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -67.35 174.68 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.39 104.94 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 36.0 m -52.92 -32.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.73 138.15 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -62.53 -42.98 99.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -134.79 -54.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 75.2 m 54.23 73.17 0.94 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.61 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.691 2.26 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 18.4 p 49.33 47.09 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.62 142.46 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 110.97 71.7 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.03 61.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -146.09 118.36 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.471 ' H ' HD12 ' B' ' 643' ' ' ILE . 1.0 OUTLIER -129.56 70.47 81.9 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 111.116 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.89 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -11.72 61.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.414 HG22 ' O ' ' B' ' 646' ' ' ILE . 45.7 mt -66.55 -12.25 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.645 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.19 -29.55 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.9 m -55.14 -49.54 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.33 84.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 71.0 mmm -64.79 -49.73 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 647' ' ' ALA . 59.0 t -58.71 -45.53 90.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.1 -41.25 97.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.17 -45.05 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.617 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -59.23 -47.73 84.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.6 mt -63.54 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 660' ' ' VAL . 35.2 mt -63.4 -37.3 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 658' ' ' LEU . 23.2 mt -59.76 -52.38 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.597 HD11 HD22 ' A' ' 657' ' ' LEU . 18.4 mt -58.61 -40.74 84.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 655' ' ' LEU . 91.2 t -64.65 -35.96 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 656' ' ' LEU . 72.0 t -66.2 -44.22 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -61.57 -45.95 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.754 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 30.0 mt -60.64 -50.41 73.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.43 -47.55 68.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.601 HG22 ' CE ' ' B' ' 668' ' ' MET . 21.5 mt -59.04 -47.27 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.79 63.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.8 -35.4 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -63.81 -51.14 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.601 ' CE ' HG22 ' B' ' 664' ' ' ILE . 49.9 mtm -62.77 -39.43 94.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -69.59 -35.78 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -96.63 86.51 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . 0.57 ' HB3' HG22 ' B' ' 673' ' ' ILE . 33.5 mtt180 -140.93 138.69 34.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . 0.691 ' O ' HG23 ' B' ' 674' ' ' VAL . 54.3 p-80 -51.84 -38.95 57.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.57 HG22 ' HB3' ' B' ' 671' ' ' ARG . 1.2 tt -58.34 98.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . 0.691 HG23 ' O ' ' B' ' 672' ' ' HIS . 24.6 t -105.62 147.99 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -116.53 -27.41 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.34 177.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 100.84 91.59 2.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 16.3 t -154.11 69.76 6.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.718 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.94 19.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 3.0 m 66.77 41.76 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -122.07 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 148.17 70.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 157.02 61.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.361 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -164.07 133.18 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 30.6 mt -129.76 69.58 81.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.2 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.4 -9.91 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 646' ' ' ILE . 40.5 mt -67.31 -11.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.9 -29.8 30.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -54.71 -47.5 73.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.1 -36.47 64.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.9 mmm -65.83 -48.07 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 647' ' ' ALA . 58.2 t -61.51 -45.43 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.77 99.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -42.65 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.583 HD23 HD23 ' B' ' 654' ' ' LEU . 21.4 mt -61.5 -48.04 82.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.688 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.3 mt -64.43 -46.25 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 660' ' ' VAL . 30.6 mt -63.36 -39.4 94.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.783 HD22 HD11 ' B' ' 658' ' ' LEU . 18.9 mt -58.19 -52.4 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.823 HD11 HD22 ' B' ' 657' ' ' LEU . 17.9 mt -58.69 -39.35 80.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 655' ' ' LEU . 63.1 t -66.62 -35.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.6 t -65.92 -44.24 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -62.69 -43.88 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.694 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.9 mt -59.56 -49.81 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.4 87.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.41 HD11 HG12 ' A' ' 660' ' ' VAL . 23.7 mt -56.37 -50.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.37 -49.43 60.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.47 HD23 ' HG3' ' B' ' 669' ' ' ARG . 65.1 mt -57.28 -35.4 69.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -76.45 -35.76 58.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.2 mtt -60.57 -49.2 78.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.424 ' HG3' HD22 ' B' ' 666' ' ' LEU . 4.0 mtt-85 -74.61 -25.03 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -66.48 -26.26 67.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -109.21 -29.08 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -89.67 144.08 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.1 pt -114.16 112.2 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 677' ' ' ARG . 10.9 p -65.76 150.65 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -77.62 151.53 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 28.2 tttm 56.36 33.33 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . 0.474 ' HB3' HG13 ' A' ' 674' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.916 0.388 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 101.59 -164.64 17.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 6.6 p -152.58 70.52 7.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 84.71 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.232 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 9.1 t 37.81 42.58 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -102.27 151.42 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -150.28 163.17 29.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -172.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -135.16 121.18 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 20.0 mm -114.03 71.91 2.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 111.171 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.595 ' HG2' HG22 ' B' ' 646' ' ' ILE . 54.0 Cg_endo -69.77 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -9.82 59.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.595 HG22 ' HG2' ' B' ' 644' ' ' PRO . 5.9 tt -66.58 -13.63 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.629 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.36 -30.48 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 10.3 m -54.14 -49.02 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.41 -36.42 77.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 68.8 mmm -65.78 -46.93 76.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 647' ' ' ALA . 61.9 t -61.18 -45.95 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.31 -40.44 98.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.21 66.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.583 HD23 HD23 ' A' ' 654' ' ' LEU . 21.3 mt -62.13 -47.84 82.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.658 ' O ' HG23 ' B' ' 659' ' ' VAL . 70.8 mt -64.38 -45.77 86.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.711 ' O ' HG23 ' B' ' 660' ' ' VAL . 25.7 mt -64.08 -39.78 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.823 HD22 HD11 ' A' ' 658' ' ' LEU . 18.1 mt -57.71 -52.53 65.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.783 HD11 HD22 ' A' ' 657' ' ' LEU . 18.0 mt -58.75 -40.08 82.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 655' ' ' LEU . 98.4 t -66.02 -36.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 656' ' ' LEU . 72.4 t -65.77 -43.78 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.88 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -62.37 -45.96 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.708 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 23.7 mt -58.47 -50.35 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.01 -49.61 62.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.442 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.619 HG22 ' CE ' ' B' ' 668' ' ' MET . 25.2 mt -57.87 -44.69 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.901 0.381 . . . . 0.0 111.123 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.23 -49.55 67.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.424 HD22 ' HG3' ' A' ' 669' ' ' ARG . 35.1 mt -68.2 -34.78 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -66.17 -50.8 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.619 ' CE ' HG22 ' B' ' 664' ' ' ILE . 51.1 mtm -63.41 -32.36 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . 0.47 ' HG3' HD23 ' A' ' 666' ' ' LEU . 0.0 OUTLIER -72.72 -39.08 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.24 4.38 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -127.91 -176.01 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -59.41 106.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 673' ' ' ILE . 0.8 OUTLIER -111.04 110.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.25 136.33 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.13 179.55 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -167.19 163.46 15.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 153.15 -111.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.9 t -149.92 68.35 8.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -20.49 34.57 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 5.3 t -55.65 -25.23 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -60.89 141.82 56.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 130.7 71.16 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 123.85 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -148.22 128.76 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.0 mt -137.05 67.55 55.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -165.73 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -11.02 60.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 27.0 mm -66.65 -11.85 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.03 -30.61 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 14.1 m -54.17 -48.69 70.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.78 -35.46 73.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 65.6 mmm -67.15 -42.55 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 647' ' ' ALA . 84.4 t -64.82 -45.75 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.45 97.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.4 -47.28 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.673 HD23 HD23 ' B' ' 654' ' ' LEU . 21.4 mt -56.04 -47.4 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 mt -62.94 -47.52 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.7 mt -61.36 -39.28 90.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.64 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.03 -43.7 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 655' ' ' LEU . 47.6 t -63.49 -36.15 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 656' ' ' LEU . 77.7 t -65.07 -44.61 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.797 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.36 -45.96 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.793 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.2 mt -58.09 -50.79 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.2 -51.3 58.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.593 HG22 ' CE ' ' A' ' 668' ' ' MET . 49.5 mt -55.72 -43.91 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.21 -50.99 60.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.41 HD22 ' CG ' ' B' ' 669' ' ' ARG . 25.1 mt -68.51 -33.93 74.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -66.55 -51.48 56.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.593 ' CE ' HG22 ' A' ' 664' ' ' ILE . 53.2 mtm -60.39 -38.51 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.549 ' CD ' HD22 ' B' ' 666' ' ' LEU . 13.6 mtt180 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -81.81 -24.3 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -58.75 -27.55 65.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . 0.644 ' HB3' HG11 ' B' ' 674' ' ' VAL . 5.9 m80 -79.83 -8.77 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 59.3 mt -77.36 99.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.5 t 62.41 63.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -85.23 -35.29 21.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -61.58 139.48 58.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.95 0.405 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.53 -90.27 1.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 97.9 m -119.5 73.35 15.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -23.19 31.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 13.3 p -56.68 -32.49 65.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -141.01 133.71 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 164.43 71.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 133.7 26.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -116.83 106.28 13.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.422 ' H ' HD12 ' B' ' 643' ' ' ILE . 1.1 pp -121.86 68.07 23.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.124 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -164.79 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.337 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.92 -12.57 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 26.8 mm -66.88 -12.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.64 -30.45 21.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.7 m -54.81 -46.81 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.34 -35.68 63.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 53.1 mmm -67.23 -43.92 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 647' ' ' ALA . 89.0 t -64.47 -45.26 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.99 -39.6 97.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.99 53.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.673 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -56.13 -47.68 77.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.625 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.9 mt -62.64 -46.65 87.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.697 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.5 mt -62.3 -38.63 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.423 ' CD1' HD22 ' A' ' 654' ' ' LEU . 27.1 mt -59.16 -51.87 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.67 -42.45 83.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 655' ' ' LEU . 57.8 t -64.26 -36.05 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 656' ' ' LEU . 77.8 t -65.86 -42.02 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.793 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -63.29 -46.84 84.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.797 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 25.9 mt -58.16 -49.0 78.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.66 63.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.623 HG22 ' CE ' ' B' ' 668' ' ' MET . 34.1 mt -57.96 -40.85 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.09 -51.78 57.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.549 HD22 ' CD ' ' A' ' 669' ' ' ARG . 28.6 mt -64.26 -32.17 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -72.04 -51.51 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.623 ' CE ' HG22 ' B' ' 664' ' ' ILE . 56.7 mtm -58.4 -31.37 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . 0.41 ' CG ' HD22 ' A' ' 666' ' ' LEU . 4.0 mmm180 -56.4 -25.21 49.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 50.86 45.72 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -143.62 131.69 21.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -114.02 -39.07 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.57 110.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . 0.644 HG11 ' HB3' ' A' ' 672' ' ' HIS . 11.0 p -76.26 147.92 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -52.01 110.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -165.77 175.04 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.02 89.18 2.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 49.7 t -171.6 73.95 0.5 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 87.35 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 14.4 p 49.74 39.59 18.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -104.03 154.77 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 111.01 73.58 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 139.59 40.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -158.25 132.21 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 24.8 mt -132.29 66.55 77.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.558 ' HB2' HD12 ' A' ' 646' ' ' ILE . 54.0 Cg_endo -69.74 -168.91 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -11.18 60.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 644' ' ' PRO . 4.1 mp -67.87 -15.47 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.21 -29.51 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.6 m -54.38 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.01 -36.58 81.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.2 mmm -65.59 -45.82 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 647' ' ' ALA . 62.4 t -63.21 -42.02 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.88 99.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.4 56.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.726 HD23 HD23 ' B' ' 654' ' ' LEU . 21.3 mt -55.85 -48.44 75.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 659' ' ' VAL . 67.7 mt -63.21 -48.16 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 660' ' ' VAL . 39.5 mt -59.94 -40.68 89.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' B' ' 654' ' ' LEU . 27.7 mt -57.61 -52.1 66.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.6 -42.64 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.8 t -65.89 -36.38 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 656' ' ' LEU . 71.3 t -64.72 -42.03 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.818 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -64.34 -47.11 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.802 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.6 mt -60.52 -48.74 80.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.15 -50.45 55.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.633 HG22 ' CE ' ' A' ' 668' ' ' MET . 34.8 mt -59.95 -42.63 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.45 -50.9 57.97 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.22 -35.96 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -66.75 -50.87 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.633 ' CE ' HG22 ' A' ' 664' ' ' ILE . 58.4 mtm -60.39 -32.02 70.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -28.09 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 50.99 60.94 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -70.53 -28.27 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -130.12 99.2 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 69.1 mt -101.23 106.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 67.1 t -110.68 115.66 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -77.93 141.61 38.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 166.75 24.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.02 -81.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 10.9 t -127.0 69.63 73.59 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.36 18.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.8 m 65.92 38.96 4.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -83.67 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -158.71 176.68 35.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 102.97 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -132.3 119.07 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 30.0 mt -126.82 67.69 68.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -166.2 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -9.42 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.405 ' O ' HG22 ' B' ' 646' ' ' ILE . 36.0 mt -68.88 -11.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -56.09 -27.36 53.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 6.7 m -55.71 -48.71 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.17 -37.6 63.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 49.5 mmm -64.86 -48.74 73.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 647' ' ' ALA . 94.7 t -61.95 -42.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.85 99.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.65 -46.14 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 654' ' ' LEU . 21.1 mt -56.44 -48.26 77.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 659' ' ' VAL . 66.6 mt -63.14 -48.01 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' B' ' 660' ' ' VAL . 43.2 mt -60.24 -40.83 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.429 ' CD1' HD22 ' A' ' 654' ' ' LEU . 27.2 mt -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.444 HD11 HD22 ' A' ' 657' ' ' LEU . 20.4 mt -56.54 -44.17 80.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 655' ' ' LEU . 57.5 t -64.67 -36.32 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.1 t -63.75 -44.7 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.802 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.38 -46.81 86.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.818 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 24.9 mt -61.32 -49.32 77.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.95 -49.58 70.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.577 HG22 ' CE ' ' B' ' 668' ' ' MET . 38.0 mt -56.59 -44.49 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.23 52.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.1 mt -68.0 -32.97 73.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -67.65 -51.71 46.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.577 ' CE ' HG22 ' B' ' 664' ' ' ILE . 56.8 mtm -58.13 -41.93 84.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -24.42 53.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -66.66 -23.21 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . 0.412 ' CZ ' HD11 ' B' ' 673' ' ' ILE . 26.9 mtp180 -135.53 -175.43 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -129.15 26.68 5.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.412 HD11 ' CZ ' ' B' ' 671' ' ' ARG . 73.6 mt -55.99 -30.64 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.37 97.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -138.98 167.15 22.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.2 153.69 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -92.35 19.71 48.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.0 t -137.71 68.19 51.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.07 13.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.351 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 62.06 26.9 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.31 146.37 24.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 113.76 165.92 15.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 162.11 43.35 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.32 130.23 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 29.0 mt -143.34 72.48 17.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.582 ' HG2' HG22 ' A' ' 646' ' ' ILE . 53.5 Cg_endo -69.81 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -9.92 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.582 HG22 ' HG2' ' A' ' 644' ' ' PRO . 7.0 tt -65.72 -13.77 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -50.83 -32.01 18.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -51.97 -52.73 48.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.98 75.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.427 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -54.76 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 647' ' ' ALA . 48.2 t -58.29 -42.61 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.67 -38.03 85.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.49 -41.47 69.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.731 HD23 HD23 ' B' ' 654' ' ' LEU . 22.4 mt -60.47 -48.22 82.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 659' ' ' VAL . 25.7 mt -65.15 -48.44 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 660' ' ' VAL . 51.0 mt -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.63 HD22 HD11 ' B' ' 658' ' ' LEU . 19.4 mt -58.89 -51.92 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.621 HD11 HD22 ' B' ' 657' ' ' LEU . 19.9 mt -55.92 -45.13 78.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 655' ' ' LEU . 62.0 t -62.61 -36.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 656' ' ' LEU . 70.2 t -65.8 -46.64 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.767 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -58.35 -48.28 81.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.783 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.0 mt -55.46 -51.46 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.39 -52.02 52.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.594 HG22 ' CE ' ' A' ' 668' ' ' MET . 50.6 mt -58.3 -42.77 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.13 67.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.529 HD22 ' CD ' ' B' ' 669' ' ' ARG . 23.3 mt -69.64 -34.98 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.35 -51.21 62.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.594 ' CE ' HG22 ' A' ' 664' ' ' ILE . 59.5 mtm -60.21 -41.98 94.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.527 ' NE ' HD22 ' B' ' 666' ' ' LEU . 4.2 mtm180 -73.14 -25.34 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -81.11 -22.67 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -53.73 -28.43 34.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -58.07 98.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 35.6 pt -84.27 -28.56 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 38.5 t -52.41 145.82 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -115.09 -25.92 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -51.97 -55.57 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 60.56 -123.65 33.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.4 m 53.07 68.97 2.56 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -6.78 19.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 66.32 39.12 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -85.47 140.0 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.38 32.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.77 58.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.56 80.01 9.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 111.172 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -166.91 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -10.17 59.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 43.9 mt -66.65 -13.03 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.428 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -50.59 -29.69 11.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -49.57 72.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.51 -31.0 70.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 60.9 mmm -68.53 -54.29 17.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 647' ' ' ALA . 59.2 t -58.1 -44.75 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.37 -37.63 90.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.37 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.731 HD23 HD23 ' A' ' 654' ' ' LEU . 21.7 mt -60.56 -48.13 83.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 659' ' ' VAL . 23.1 mt -64.59 -49.01 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 660' ' ' VAL . 74.9 mt -60.06 -40.79 90.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 658' ' ' LEU . 19.0 mt -57.65 -52.12 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.63 HD11 HD22 ' A' ' 657' ' ' LEU . 19.3 mt -55.86 -44.96 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 655' ' ' LEU . 60.2 t -63.32 -36.45 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.0 t -65.22 -45.32 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.783 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.21 -47.36 86.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.767 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.3 mt -55.65 -51.08 68.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.19 -52.05 53.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.601 HG22 ' CE ' ' B' ' 668' ' ' MET . 47.5 mt -57.56 -42.43 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.89 66.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.527 HD22 ' NE ' ' A' ' 669' ' ' ARG . 23.3 mt -68.63 -34.1 75.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -66.74 -51.17 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.601 ' CE ' HG22 ' B' ' 664' ' ' ILE . 58.2 mtm -60.42 -38.18 83.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . 0.529 ' CD ' HD22 ' A' ' 666' ' ' LEU . 5.4 mtm180 -58.63 -36.23 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.72 39.35 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.27 125.49 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -145.27 168.42 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 2.7 pp -68.16 -12.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.54 -30.13 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.01 136.74 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -130.7 136.54 48.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.4 131.74 2.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.73 68.51 80.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.21 13.55 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.67 27.56 16.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -76.92 169.92 17.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 93.74 -175.06 35.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.68 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.23 146.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 67.0 mt 54.05 74.15 0.8 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.658 0.742 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.579 ' HB2' HD12 ' A' ' 646' ' ' ILE . 53.7 Cg_endo -69.74 -169.02 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -11.52 60.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.579 HD12 ' HB2' ' A' ' 644' ' ' PRO . 3.8 mp -66.08 -15.25 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.2 -32.55 10.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.6 m -53.06 -48.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.01 -32.82 69.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . 0.414 ' HB3' ' HE3' ' A' ' 650' ' ' MET . 55.6 mmm -63.46 -54.0 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.96 -44.84 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -66.32 -37.44 92.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.09 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.732 HD23 HD23 ' B' ' 654' ' ' LEU . 22.3 mt -61.57 -47.69 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 659' ' ' VAL . 51.9 mt -65.4 -47.0 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.695 ' O ' HG23 ' A' ' 660' ' ' VAL . 29.9 mt -61.9 -39.82 93.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.74 HD22 HD11 ' B' ' 658' ' ' LEU . 19.5 mt -58.8 -52.11 67.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.891 HD11 HD22 ' B' ' 657' ' ' LEU . 20.8 mt -56.28 -44.29 79.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 655' ' ' LEU . 69.8 t -62.96 -36.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 656' ' ' LEU . 76.4 t -65.16 -46.58 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.775 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -59.59 -48.24 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.729 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.8 mt -58.48 -50.29 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -48.41 71.87 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.607 HG22 ' CE ' ' A' ' 668' ' ' MET . 22.3 mt -57.9 -46.3 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.15 -46.41 85.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.06 -30.7 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.44 -51.27 37.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.607 ' CE ' HG22 ' A' ' 664' ' ' ILE . 50.5 mtm -61.24 -52.22 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.5 ' HG3' HD22 ' B' ' 666' ' ' LEU . 5.2 mtt180 -65.08 -39.88 93.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.29 94.18 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.79 119.68 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -61.92 171.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.42 HG22 HG13 ' A' ' 674' ' ' VAL . 5.3 mp -98.23 -69.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 673' ' ' ILE . 16.6 m -147.87 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -106.41 -32.46 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -65.43 143.49 57.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.908 0.385 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -109.21 -56.65 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 10.3 m 52.26 68.19 3.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.13 13.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.75 27.16 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.71 -27.16 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 73.58 75.4 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.82 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -91.05 1.45 57.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 27.6 mt -144.22 73.82 15.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.573 ' HG2' HG22 ' B' ' 646' ' ' ILE . 53.1 Cg_endo -69.86 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -10.26 59.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.573 HG22 ' HG2' ' B' ' 644' ' ' PRO . 1.6 tp -64.26 -14.8 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.99 17.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.2 m -50.71 -47.41 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.08 -33.48 65.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 66.8 mmm -63.98 -53.31 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.56 -43.78 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -67.48 -37.11 89.71 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.77 -41.21 68.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.732 HD23 HD23 ' A' ' 654' ' ' LEU . 22.2 mt -61.46 -48.07 82.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.566 ' O ' HG23 ' B' ' 659' ' ' VAL . 63.3 mt -65.57 -45.89 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.699 ' O ' HG23 ' B' ' 660' ' ' VAL . 55.1 mt -62.87 -40.15 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.891 HD22 HD11 ' A' ' 658' ' ' LEU . 19.4 mt -58.53 -52.36 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.74 HD11 HD22 ' A' ' 657' ' ' LEU . 19.8 mt -56.51 -43.09 79.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 655' ' ' LEU . 80.5 t -64.25 -36.28 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.4 t -66.4 -44.54 90.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -60.54 -48.16 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.759 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 30.6 mt -58.88 -50.34 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.38 64.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.602 HG22 ' CE ' ' B' ' 668' ' ' MET . 31.2 mt -60.44 -44.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.99 -49.18 63.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.5 HD22 ' HG3' ' A' ' 669' ' ' ARG . 20.9 mt -69.6 -35.83 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -63.6 -50.6 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.602 ' CE ' HG22 ' B' ' 664' ' ' ILE . 50.4 mtm -63.92 -36.35 83.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 51.41 49.15 21.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -156.08 132.08 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . 0.606 ' O ' HD13 ' B' ' 673' ' ' ILE . 18.9 m80 -97.87 -67.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.606 HD13 ' O ' ' B' ' 672' ' ' HIS . 31.0 mm -136.05 121.42 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . 0.688 HG12 ' H ' ' B' ' 676' ' ' LYS . 71.2 t -53.12 126.03 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -52.05 -31.3 29.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . 0.688 ' H ' HG12 ' B' ' 674' ' ' VAL . 0.3 OUTLIER -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -85.32 51.65 4.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 49.2 t -137.03 70.78 56.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.92 19.75 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.9 m 66.55 41.09 3.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -93.42 118.22 31.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 130.84 171.55 12.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 88.54 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -113.67 -23.04 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 58.5 mt 50.26 70.31 2.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.45 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -10.14 59.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 646' ' ' ILE . 39.8 mt -67.17 -11.63 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.76 -29.82 29.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 2.1 m -55.02 -48.89 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.25 -36.78 79.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 51.3 mmm -66.03 -48.62 70.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 647' ' ' ALA . 69.1 t -59.4 -45.44 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.78 -40.87 98.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.24 -47.2 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.705 HD23 HD23 ' B' ' 654' ' ' LEU . 20.8 mt -56.16 -48.17 76.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 659' ' ' VAL . 69.8 mt -62.81 -48.93 76.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.699 ' O ' HG23 ' A' ' 660' ' ' VAL . 37.8 mt -59.45 -39.97 85.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' B' ' 654' ' ' LEU . 24.7 mt -58.13 -52.27 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 20.2 mt -55.96 -45.18 78.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 655' ' ' LEU . 60.6 t -62.88 -36.8 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 656' ' ' LEU . 77.5 t -64.9 -45.22 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.785 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -59.78 -47.82 84.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.777 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.6 mt -55.41 -50.38 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.59 -53.4 46.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.624 HG22 ' CE ' ' A' ' 668' ' ' MET . 70.7 mt -56.88 -38.94 61.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.61 -51.71 57.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.49 -31.6 72.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -73.27 -51.38 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.624 ' CE ' HG22 ' A' ' 664' ' ' ILE . 56.9 mtm -57.77 -31.05 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.598 ' CD ' HD22 ' B' ' 666' ' ' LEU . 1.5 mtt180 -56.03 -24.99 42.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -146.94 109.17 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -136.51 132.39 35.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -123.1 174.31 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 5.3 mp -109.87 111.21 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 138.99 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -119.17 176.44 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -113.1 177.77 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.836 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 173.8 124.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.3 m 59.68 70.25 1.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -29.71 23.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.673 2.248 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.9 p -64.82 -28.33 69.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -93.23 152.6 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.92 71.9 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.84 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.403 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -139.2 116.96 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 31.0 mt -142.29 69.41 22.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.98 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -10.4 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.41 -11.64 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.623 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -53.46 -29.56 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 32.2 m -55.22 -49.14 72.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.95 82.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 55.0 mmm -66.11 -47.42 74.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.623 HG23 ' O ' ' B' ' 647' ' ' ALA . 93.3 t -60.15 -44.68 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.53 -40.77 99.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.96 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.705 HD23 HD23 ' A' ' 654' ' ' LEU . 21.7 mt -56.45 -48.6 76.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 659' ' ' VAL . 63.6 mt -62.14 -48.92 77.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' B' ' 660' ' ' VAL . 34.6 mt -59.64 -40.67 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 654' ' ' LEU . 22.7 mt -57.24 -52.36 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 19.1 mt -56.05 -45.41 79.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 655' ' ' LEU . 56.5 t -62.28 -36.66 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.9 t -64.07 -49.63 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.777 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -56.59 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.785 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 18.7 mt -55.05 -50.92 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -62.88 -53.78 38.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.623 HG22 ' CE ' ' B' ' 668' ' ' MET . 93.2 mt -53.97 -39.62 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.89 -50.02 69.94 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.598 HD22 ' CD ' ' A' ' 669' ' ' ARG . 35.0 mt -66.46 -28.98 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -76.22 -52.04 10.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.623 ' CE ' HG22 ' B' ' 664' ' ' ILE . 52.4 mtm -54.98 -52.91 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -74.46 -47.83 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 47.75 31.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -167.89 -178.16 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -162.08 137.23 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.475 ' O ' HG23 ' B' ' 673' ' ' ILE . 1.2 tt -83.98 104.1 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.69 148.1 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.27 154.33 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.61 161.6 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 128.66 72.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.0 t -175.06 73.21 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.4 p 60.75 29.08 18.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -51.46 144.76 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 166.04 76.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.52 34.24 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -171.13 142.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.6 mt -118.16 71.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -167.52 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 0.0 112.299 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.32 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 646' ' ' ILE . 48.7 mt -65.8 -13.58 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.17 -32.43 36.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.5 m -52.72 -48.97 66.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.75 -37.71 84.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.1 mmm -64.4 -48.32 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.334 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 647' ' ' ALA . 46.5 t -59.52 -46.7 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.34 97.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.3 -44.69 62.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.581 HD23 HD23 ' B' ' 654' ' ' LEU . 20.6 mt -60.32 -47.84 84.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 659' ' ' VAL . 71.3 mt -62.84 -46.02 89.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 660' ' ' VAL . 29.8 mt -63.63 -38.28 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.62 HD22 HD11 ' B' ' 658' ' ' LEU . 19.7 mt -58.75 -52.23 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.608 HD11 HD22 ' B' ' 657' ' ' LEU . 18.3 mt -58.6 -41.78 86.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.8 t -64.19 -35.84 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 656' ' ' LEU . 79.4 t -65.91 -43.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.752 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -62.42 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.775 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.4 mt -60.44 -50.19 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.97 -49.56 66.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.608 HG22 ' CE ' ' A' ' 668' ' ' MET . 27.2 mt -57.38 -44.14 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.16 -52.19 52.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.24 -33.98 76.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -67.17 -50.88 59.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.608 ' CE ' HG22 ' A' ' 664' ' ' ILE . 52.7 mtm -62.14 -31.57 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -28.88 67.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -55.24 -25.94 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.47 -167.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -106.14 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 673' ' ' ILE . 1.1 tt -62.24 98.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.91 137.18 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 -90.22 -67.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.13 109.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -170.41 -128.45 1.02 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.9 m -118.42 68.07 7.43 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -20.81 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 70.0 p -54.38 -32.91 58.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -117.14 155.19 29.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.42 74.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 107.68 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -142.69 125.36 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 27.3 mt -129.11 70.86 81.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.547 ' HB2' HD12 ' B' ' 646' ' ' ILE . 53.8 Cg_endo -69.76 -169.1 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -12.01 60.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' B' ' 644' ' ' PRO . 4.7 mp -66.58 -14.62 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.684 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.45 -32.1 25.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -53.09 -48.98 67.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.63 -37.58 85.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 73.5 mmm -64.18 -48.14 77.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 647' ' ' ALA . 46.3 t -59.83 -47.11 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.24 96.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.427 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.13 61.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 654' ' ' LEU . 20.2 mt -59.47 -47.75 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.654 ' O ' HG23 ' B' ' 659' ' ' VAL . 67.5 mt -62.18 -46.5 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.7 mt -63.19 -38.49 91.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 658' ' ' LEU . 21.7 mt -58.24 -52.23 66.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.62 HD11 HD22 ' A' ' 657' ' ' LEU . 17.9 mt -58.54 -42.1 87.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.1 t -64.02 -35.77 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 656' ' ' LEU . 73.8 t -65.78 -43.68 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.42 -44.95 95.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.752 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.3 mt -60.54 -50.12 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.22 66.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.593 HG22 ' CE ' ' B' ' 668' ' ' MET . 34.7 mt -58.29 -43.62 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.92 60.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.547 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.74 -34.3 76.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -66.61 -51.26 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.593 ' CE ' HG22 ' B' ' 664' ' ' ILE . 53.2 mtm -61.04 -35.81 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -63.16 -36.62 84.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 52.12 58.45 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -128.23 124.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -156.99 107.64 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 46.4 mt -136.02 125.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . 0.402 HG13 ' O ' ' B' ' 674' ' ' VAL . 6.4 p -121.82 122.38 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -136.84 174.24 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -102.92 -25.59 13.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -134.7 73.89 0.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 6.3 p -165.81 69.18 1.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -4.2 13.52 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.728 2.285 . . . . 0.0 112.291 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 p 61.99 26.85 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -121.66 113.21 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -162.16 73.74 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 121.65 8.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -153.19 122.63 6.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.9 mt -142.87 70.7 19.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.83 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -10.22 59.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.28 -12.11 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.5 -31.64 24.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 3.7 m -53.08 -49.96 65.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.0 -37.56 87.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.0 mmm -64.57 -47.13 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 647' ' ' ALA . 66.7 t -59.9 -46.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.54 98.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.36 61.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.593 HD23 HD23 ' B' ' 654' ' ' LEU . 20.9 mt -58.68 -47.83 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 659' ' ' VAL . 68.1 mt -62.0 -46.25 90.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.0 mt -63.37 -37.64 88.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.536 HD22 HD11 ' B' ' 658' ' ' LEU . 24.8 mt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.548 HD11 HD22 ' B' ' 657' ' ' LEU . 19.7 mt -58.44 -42.04 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.4 t -63.88 -35.88 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 656' ' ' LEU . 73.8 t -65.91 -44.25 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.49 -45.96 92.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.775 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.2 mt -59.95 -50.52 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.29 -48.88 66.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.591 HG22 ' CE ' ' A' ' 668' ' ' MET . 27.7 mt -58.04 -45.21 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -55.78 -51.7 53.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.625 HD22 HH11 ' B' ' 669' ' ' ARG . 20.4 mt -68.08 -34.94 77.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.03 -51.18 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.591 ' CE ' HG22 ' A' ' 664' ' ' ILE . 54.3 mtm -60.75 -38.04 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -62.98 -29.34 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -119.14 94.62 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -146.54 137.32 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . 0.579 ' O ' HD13 ' A' ' 673' ' ' ILE . 27.7 m170 -79.67 108.63 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 672' ' ' HIS . 28.7 mm -130.18 122.22 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.68 149.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -118.19 163.1 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -92.05 160.71 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -114.76 41.41 2.18 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 49.0 t -155.92 70.39 5.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.04 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 90.8 m -160.63 87.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -60.68 -46.07 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 152.94 171.56 20.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.36 19.07 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -151.6 110.76 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.66 72.4 30.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.57 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.319 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.42 -12.24 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 29.8 mm -66.68 -12.38 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.608 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.66 -31.78 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 m -53.26 -49.74 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.19 -37.36 86.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 70.2 mmm -64.44 -47.11 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 647' ' ' ALA . 63.8 t -60.44 -46.83 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.23 98.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.87 -45.68 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 654' ' ' LEU . 20.8 mt -58.62 -47.86 82.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.626 ' O ' HG23 ' B' ' 659' ' ' VAL . 62.7 mt -61.93 -46.41 89.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.2 mt -63.31 -37.77 88.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.548 HD22 HD11 ' A' ' 658' ' ' LEU . 23.2 mt -59.19 -52.02 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.536 HD11 HD22 ' A' ' 657' ' ' LEU . 19.7 mt -58.55 -42.29 87.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 655' ' ' LEU . 58.0 t -63.93 -35.75 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.2 t -65.75 -44.07 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.775 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.9 -45.74 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.737 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 28.6 mt -60.48 -50.34 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -48.37 77.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.594 HG22 ' CE ' ' B' ' 668' ' ' MET . 37.8 mt -57.6 -44.35 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.096 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.87 -50.87 61.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 22.8 mt -68.99 -31.91 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -69.47 -51.5 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.594 ' CE ' HG22 ' B' ' 664' ' ' ILE . 55.4 mtm -57.73 -44.29 85.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . 0.625 HH11 HD22 ' A' ' 666' ' ' LEU . 0.0 OUTLIER -70.75 -47.79 57.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 43.01 37.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -158.13 179.44 9.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 9.1 m170 61.24 50.93 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 59.2 mt -92.43 -43.75 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.21 177.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -156.59 139.41 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -58.26 -59.29 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 137.84 70.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 67.1 m 55.63 74.42 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . 0.518 ' O ' HG23 ' A' ' 638' ' ' THR . 53.8 Cg_endo -69.79 -45.92 1.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 637' ' ' PRO . 0.1 OUTLIER -170.08 87.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -113.13 144.65 42.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 172.53 169.59 35.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 123.99 10.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.51 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.68 69.18 79.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.737 . . . . 0.0 111.159 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -167.25 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -11.12 60.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 646' ' ' ILE . 41.0 mt -66.43 -12.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.69 -32.09 28.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 8.5 m -52.7 -49.17 65.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.69 -38.07 85.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 82.5 mmm -64.21 -48.6 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 647' ' ' ALA . 58.1 t -59.07 -47.03 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.49 97.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.28 -46.91 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.543 HD23 HD23 ' B' ' 654' ' ' LEU . 19.6 mt -56.46 -47.69 78.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 mt -62.48 -46.87 86.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.3 mt -62.28 -38.17 88.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.46 -52.1 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.46 -43.23 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 655' ' ' LEU . 47.2 t -63.22 -35.83 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 656' ' ' LEU . 79.8 t -66.25 -43.04 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.815 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -62.14 -45.62 92.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.808 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 22.8 mt -58.29 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.578 HG22 ' CE ' ' A' ' 668' ' ' MET . 47.9 mt -57.93 -44.36 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.54 -49.18 71.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.49 HD22 ' HD2' ' B' ' 669' ' ' ARG . 23.3 mt -70.85 -33.73 70.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -66.12 -51.47 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.578 ' CE ' HG22 ' A' ' 664' ' ' ILE . 54.8 mtm -59.47 -51.22 70.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.451 ' HG3' HD22 ' B' ' 666' ' ' LEU . 6.1 mtm180 -63.44 -33.1 74.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 58.25 52.73 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -100.27 113.61 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -150.05 176.51 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 81.3 mt -94.65 104.23 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 41.1 t -104.23 -33.57 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -59.9 129.7 43.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.0 132.97 40.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 106.7 -121.56 6.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.7 p -125.69 156.38 71.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 75.95 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m 50.76 39.41 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -84.44 117.23 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 151.51 68.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.09 39.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.15 111.96 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.19 72.35 35.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.632 0.729 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.622 ' CG ' HD12 ' B' ' 646' ' ' ILE . 53.6 Cg_endo -69.84 -167.56 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.83 -14.07 62.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.622 HD12 ' CG ' ' B' ' 644' ' ' PRO . 2.8 mt -66.77 -13.46 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.641 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.34 -32.28 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.2 -48.7 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.64 -37.85 85.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 63.4 mmm -64.56 -46.54 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 647' ' ' ALA . 58.6 t -60.55 -47.28 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.8 97.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.36 -46.19 56.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.543 HD23 HD23 ' A' ' 654' ' ' LEU . 20.1 mt -56.98 -47.52 80.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.664 ' O ' HG23 ' B' ' 659' ' ' VAL . 69.4 mt -62.96 -46.31 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.711 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.5 mt -62.55 -38.92 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.412 ' CD1' HD22 ' A' ' 654' ' ' LEU . 24.0 mt -58.85 -52.03 67.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.3 -43.0 82.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 655' ' ' LEU . 47.2 t -63.86 -36.05 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 656' ' ' LEU . 79.4 t -64.72 -44.9 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.808 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.68 -44.74 96.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.815 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 21.2 mt -58.25 -51.34 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.34 66.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.581 HG22 ' CE ' ' B' ' 668' ' ' MET . 58.8 mt -56.46 -44.49 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.56 71.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' A' ' 669' ' ' ARG . 25.2 mt -70.15 -33.45 71.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.88 -51.72 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.581 ' CE ' HG22 ' B' ' 664' ' ' ILE . 52.2 mtm -59.77 -43.49 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . 0.49 ' HD2' HD22 ' A' ' 666' ' ' LEU . 0.0 OUTLIER -72.98 -24.82 60.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -68.02 -39.1 83.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -80.19 -75.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -127.19 146.47 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.76 114.11 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.55 140.67 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -143.03 171.59 13.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -138.85 135.83 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 119.46 156.35 10.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.2 t 57.14 74.15 0.7 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.652 0.739 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . 0.523 ' O ' HG23 ' A' ' 638' ' ' THR . 54.0 Cg_endo -69.79 -47.28 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 637' ' ' PRO . 0.2 OUTLIER -168.83 86.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -111.28 119.58 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.09 69.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 128.6 16.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -157.53 131.98 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 43.1 mt -131.97 68.33 80.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.559 ' HB2' HD12 ' A' ' 646' ' ' ILE . 53.8 Cg_endo -69.78 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -12.17 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 644' ' ' PRO . 4.8 mp -67.05 -14.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.9 -32.05 30.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -53.42 -49.93 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.61 85.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 68.4 mmm -65.68 -49.14 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 647' ' ' ALA . 87.9 t -59.01 -46.02 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.83 -40.32 98.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.09 -46.0 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.532 HD23 HD23 ' B' ' 654' ' ' LEU . 20.1 mt -55.87 -47.57 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 659' ' ' VAL . 66.0 mt -63.08 -47.43 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.6 mt -60.53 -39.5 88.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' B' ' 654' ' ' LEU . 24.4 mt -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' B' ' 661' ' ' ALA . 21.1 mt -55.91 -44.98 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 655' ' ' LEU . 59.3 t -61.96 -37.05 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 656' ' ' LEU . 76.4 t -64.28 -47.63 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.805 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -58.14 -45.59 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.807 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 21.3 mt -56.36 -50.98 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -61.88 -53.47 42.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.605 HG22 ' CE ' ' A' ' 668' ' ' MET . 90.0 mt -57.42 -36.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.32 -50.95 61.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.549 HD13 ' HD2' ' B' ' 669' ' ' ARG . 40.7 mt -62.52 -31.19 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -75.81 -51.69 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.605 ' CE ' HG22 ' A' ' 664' ' ' ILE . 50.0 mtm -55.65 -31.26 62.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.545 ' HD3' HD22 ' B' ' 666' ' ' LEU . 3.3 mtm180 -55.51 -47.1 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.14 38.73 2.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -128.4 130.69 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . 0.581 ' O ' HD13 ' A' ' 673' ' ' ILE . 6.9 m-70 -99.12 175.47 5.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 672' ' ' HIS . 32.2 mm -137.78 126.03 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 62.3 t -104.97 139.31 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -95.85 128.98 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 138.29 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -65.9 -172.06 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 87.1 m -131.86 71.83 80.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 5.1 m -54.21 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.22 127.55 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.09 42.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -144.04 106.96 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 19.5 mm -115.44 69.99 2.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -169.58 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -10.1 59.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 31.8 mm -66.86 -12.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.56 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -54.08 -31.05 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 43.1 m -54.43 -49.54 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.05 -36.88 86.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 52.3 mmm -65.53 -48.94 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 647' ' ' ALA . 89.5 t -58.47 -46.25 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.72 -40.59 98.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.05 -45.45 60.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.532 HD23 HD23 ' A' ' 654' ' ' LEU . 20.4 mt -56.49 -47.58 78.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 659' ' ' VAL . 70.8 mt -62.97 -47.35 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.0 mt -60.67 -40.24 91.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 654' ' ' LEU . 24.6 mt -58.34 -51.92 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 661' ' ' ALA . 20.0 mt -56.06 -44.97 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 655' ' ' LEU . 91.0 t -62.05 -36.42 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 656' ' ' LEU . 80.0 t -64.03 -49.46 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.807 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -57.41 -44.96 85.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.805 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 18.9 mt -56.26 -50.89 70.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -62.54 -54.58 33.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.613 HG22 ' CE ' ' B' ' 668' ' ' MET . 81.4 mt -56.42 -36.59 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.072 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.11 59.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.545 HD22 ' HD3' ' A' ' 669' ' ' ARG . 30.0 mt -62.32 -30.36 71.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -76.27 -50.53 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.613 ' CE ' HG22 ' B' ' 664' ' ' ILE . 50.2 mtm -60.44 -52.47 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . 0.549 ' HD2' HD13 ' A' ' 666' ' ' LEU . 4.0 mtt180 -72.78 -48.41 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 48.74 27.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -157.46 -176.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -79.92 172.46 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.463 ' O ' HG23 ' B' ' 673' ' ' ILE . 1.2 tt -92.77 106.34 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.1 112.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -115.47 -32.25 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -63.33 170.6 2.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 101.08 -121.82 7.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 7.4 m 59.39 71.19 0.97 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.691 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . 0.4 ' C ' HG23 ' A' ' 638' ' ' THR . 53.9 Cg_endo -69.74 -4.39 13.92 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 637' ' ' PRO . 1.3 p 61.95 27.19 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -53.05 147.87 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 133.73 70.42 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 121.94 8.63 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -131.61 118.35 19.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.8 mt -126.79 70.36 73.01 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.583 ' HB2' HD12 ' A' ' 646' ' ' ILE . 54.2 Cg_endo -69.77 -168.8 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.334 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.98 -12.94 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 644' ' ' PRO . 4.8 mp -67.44 -13.59 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.39 -30.04 27.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.8 m -55.12 -48.47 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.35 -36.13 77.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 72.4 mmm -65.92 -46.86 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 647' ' ' ALA . 62.1 t -61.09 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.97 -40.11 96.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.1 42.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.629 HD23 HD23 ' B' ' 654' ' ' LEU . 21.1 mt -55.93 -47.93 76.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 659' ' ' VAL . 65.6 mt -62.35 -46.33 89.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.5 mt -62.86 -37.62 87.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.88 -52.09 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.594 HD11 HD22 ' B' ' 657' ' ' LEU . 19.4 mt -58.13 -41.71 84.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.4 t -64.26 -36.0 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 656' ' ' LEU . 78.8 t -65.93 -43.53 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.748 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.99 -46.18 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.768 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 28.1 mt -59.24 -50.55 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.73 -49.45 65.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.601 HG22 ' CE ' ' A' ' 668' ' ' MET . 28.0 mt -57.19 -45.34 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.22 -50.32 62.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.18 -34.61 75.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.54 -51.14 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.601 ' CE ' HG22 ' A' ' 664' ' ' ILE . 52.1 mtm -61.43 -38.02 85.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -36.29 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -116.52 94.67 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -138.97 135.03 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -86.7 159.98 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 673' ' ' ILE . 1.1 pp -143.91 153.09 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.0 150.07 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.9 168.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -112.8 177.61 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 156.37 49.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.4 p -162.02 156.55 19.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 78.55 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.658 2.238 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 11.9 p 50.05 40.0 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -101.53 157.12 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.7 -176.06 23.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.65 6.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.282 . . . . 0.0 112.35 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -43.75 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.0 68.36 75.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.07 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -9.99 59.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.406 HG22 ' O ' ' B' ' 646' ' ' ILE . 40.3 mt -67.45 -11.96 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.653 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -53.18 -28.37 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.6 m -56.0 -49.13 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.99 75.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 71.5 mmm -66.28 -48.93 68.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 647' ' ' ALA . 63.8 t -59.7 -45.95 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.19 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.37 -44.26 62.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 654' ' ' LEU . 20.8 mt -59.7 -47.77 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.636 ' O ' HG23 ' B' ' 659' ' ' VAL . 72.6 mt -63.52 -47.3 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.704 ' O ' HG23 ' B' ' 660' ' ' VAL . 33.7 mt -62.62 -37.44 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.594 HD22 HD11 ' A' ' 658' ' ' LEU . 19.0 mt -59.63 -52.29 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.98 -42.46 85.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 655' ' ' LEU . 62.0 t -63.49 -35.99 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 656' ' ' LEU . 79.2 t -65.73 -43.9 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.768 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.748 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 28.3 mt -59.62 -50.4 74.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.95 -49.2 68.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.605 HG22 ' CE ' ' B' ' 668' ' ' MET . 29.6 mt -57.69 -44.36 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.916 0.388 . . . . 0.0 111.16 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.98 -50.58 63.02 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 24.2 mt -68.42 -34.24 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -66.67 -51.12 59.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.605 ' CE ' HG22 ' B' ' 664' ' ' ILE . 53.2 mtm -60.94 -36.89 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.56 -46.17 84.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.58 34.93 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -152.43 141.24 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -157.57 90.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.02 118.72 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . 0.441 ' O ' HG13 ' B' ' 674' ' ' VAL . 3.2 p -105.54 112.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -159.93 176.29 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -64.17 155.06 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.18 4.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.99 70.71 60.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.726 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -15.11 36.98 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 6.7 m -52.43 -61.23 2.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -104.18 162.94 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 156.26 67.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.67 36.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -159.36 129.7 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 46.6 mt -129.85 69.25 81.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.709 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.0 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.53 -9.85 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 646' ' ' ILE . 41.1 mt -68.22 -10.97 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.635 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -55.3 -28.06 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 2.4 m -55.92 -49.09 74.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.38 -35.68 69.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 64.6 mmm -66.59 -45.9 77.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 647' ' ' ALA . 95.4 t -62.84 -44.99 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.55 -40.76 99.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.22 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.544 HD23 HD23 ' B' ' 654' ' ' LEU . 19.3 mt -56.39 -48.16 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 659' ' ' VAL . 77.1 mt -63.39 -46.97 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.0 mt -60.9 -38.21 84.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.6 -52.15 66.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 22.2 mt -55.9 -44.68 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 655' ' ' LEU . 61.0 t -62.6 -36.79 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.6 t -64.96 -43.22 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.799 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.786 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 22.0 mt -56.66 -49.04 76.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.11 -51.7 57.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.625 HG22 ' CE ' ' A' ' 668' ' ' MET . 45.4 mt -57.89 -38.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -60.51 -51.85 56.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.692 ' HB3' HG21 ' B' ' 673' ' ' ILE . 42.2 mt -61.78 -30.83 71.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -75.98 -51.78 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.625 ' CE ' HG22 ' A' ' 664' ' ' ILE . 59.9 mtm -55.59 -30.29 60.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.589 ' CD ' HD22 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -55.13 -34.25 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 107.56 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -107.03 -34.69 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -109.76 173.49 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.23 -64.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.2 m -104.0 177.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.97 -34.16 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.12 166.12 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 177.15 -114.74 0.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 17.1 t -161.51 73.41 2.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.22 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 36.4 m -160.41 79.77 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -99.81 116.05 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -171.9 178.1 44.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.49 35.53 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -135.93 122.05 20.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 32.7 mt -129.17 68.0 79.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.569 ' HB2' HD12 ' B' ' 646' ' ' ILE . 53.6 Cg_endo -69.79 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.27 -12.31 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' B' ' 644' ' ' PRO . 4.3 mp -68.3 -13.24 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.64 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -54.78 -29.84 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 6.8 m -54.91 -49.47 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.64 -37.34 84.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 57.3 mmm -65.89 -45.16 83.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 647' ' ' ALA . 84.9 t -61.85 -43.83 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.05 99.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.95 -45.35 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.544 HD23 HD23 ' A' ' 654' ' ' LEU . 20.9 mt -56.61 -47.69 79.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.507 ' O ' HG23 ' B' ' 659' ' ' VAL . 59.0 mt -62.62 -48.29 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.733 ' O ' HG23 ' B' ' 660' ' ' VAL . 34.7 mt -60.31 -40.26 89.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.455 ' CD1' HD22 ' A' ' 654' ' ' LEU . 23.9 mt -57.87 -52.0 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.47 -44.8 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 655' ' ' LEU . 59.0 t -62.07 -36.05 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 656' ' ' LEU . 76.5 t -64.17 -48.21 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.786 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.799 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.4 mt -57.17 -51.14 70.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.52 58.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.611 HG22 ' CE ' ' B' ' 668' ' ' MET . 90.7 mt -57.71 -38.06 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -61.81 -50.46 65.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.589 HD22 ' CD ' ' A' ' 669' ' ' ARG . 30.0 mt -65.53 -29.14 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.5 -51.45 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.611 ' CE ' HG22 ' B' ' 664' ' ' ILE . 54.0 mtm -54.8 -53.22 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . 0.437 ' HD2' HD13 ' A' ' 666' ' ' LEU . 0.4 OUTLIER -75.82 -49.51 17.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.15 31.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -155.92 -176.85 6.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -84.27 140.9 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 666' ' ' LEU . 0.9 OUTLIER -110.43 112.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.98 122.98 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 35.9 mmm-85 -104.75 -37.17 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -52.3 -56.72 12.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.916 0.388 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 152.06 116.15 0.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 41.9 t 53.04 71.12 1.52 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . 0.544 ' O ' HG23 ' A' ' 638' ' ' THR . 53.3 Cg_endo -69.8 -48.5 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 637' ' ' PRO . 0.6 OUTLIER -164.62 92.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -152.57 148.07 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 104.29 72.41 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.87 5.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -128.83 117.28 20.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.8 mt -133.27 74.34 72.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.571 ' HG2' HG22 ' A' ' 646' ' ' ILE . 53.6 Cg_endo -69.79 -167.17 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -10.29 59.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.571 HG22 ' HG2' ' A' ' 644' ' ' PRO . 1.6 tp -64.19 -15.12 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -48.45 -34.33 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 10.4 m -52.18 -51.19 59.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.67 -33.65 85.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 90.0 mmm -63.76 -52.36 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 647' ' ' ALA . 21.5 t -60.19 -44.51 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -63.23 -37.84 95.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.526 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.05 -46.16 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.557 HD23 HD23 ' B' ' 654' ' ' LEU . 16.9 mt -61.15 -48.14 82.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 659' ' ' VAL . 44.7 mt -61.76 -46.45 89.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 660' ' ' VAL . 34.2 mt -64.23 -38.86 92.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.781 HD22 HD11 ' B' ' 658' ' ' LEU . 18.5 mt -57.04 -52.31 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.761 HD11 HD22 ' B' ' 657' ' ' LEU . 17.8 mt -59.95 -40.98 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 655' ' ' LEU . 75.5 t -65.19 -35.75 76.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 656' ' ' LEU . 75.7 t -65.96 -44.13 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.92 -45.36 94.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.688 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 29.8 mt -60.36 -50.53 73.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.58 -49.58 68.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.59 HG22 ' CE ' ' A' ' 668' ' ' MET . 34.8 mt -57.12 -43.87 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.46 -51.14 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.56 -33.96 75.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.68 -51.52 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.59 ' CE ' HG22 ' A' ' 664' ' ' ILE . 55.4 mtm -59.4 -41.06 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -60.98 -26.27 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -121.82 96.09 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -136.16 133.93 37.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -83.41 171.19 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 32.0 mm -117.32 110.49 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.64 152.13 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.25 -33.41 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -60.63 149.48 34.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.99 152.12 18.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 21.0 t -118.38 69.2 7.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -25.25 28.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 15.0 t -58.43 -30.0 66.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -81.3 142.23 33.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 135.41 -170.06 23.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.53 60.71 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.353 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -162.04 127.0 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 32.0 mt -139.94 72.53 34.33 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.5 ' HB2' HD12 ' B' ' 646' ' ' ILE . 53.7 Cg_endo -69.81 -169.44 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.5 HD12 ' HB2' ' B' ' 644' ' ' PRO . 4.4 mp -65.59 -15.23 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -48.59 -32.94 8.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.4 m -52.32 -51.59 57.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.85 -34.28 86.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 77.5 mmm -62.47 -52.77 62.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 647' ' ' ALA . 21.5 t -60.54 -44.84 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.58 95.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.62 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 654' ' ' LEU . 16.2 mt -60.52 -48.24 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.675 ' O ' HG23 ' B' ' 659' ' ' VAL . 48.2 mt -61.7 -46.88 87.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.698 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.6 mt -63.84 -38.91 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.761 HD22 HD11 ' A' ' 658' ' ' LEU . 18.7 mt -56.89 -52.35 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.781 HD11 HD22 ' A' ' 657' ' ' LEU . 17.5 mt -59.65 -41.35 90.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.0 t -64.96 -35.74 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 656' ' ' LEU . 77.6 t -65.74 -44.4 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.836 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -61.85 -44.99 95.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.709 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.7 mt -60.72 -50.52 73.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.82 -49.97 67.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.588 HG22 ' CE ' ' B' ' 668' ' ' MET . 47.2 mt -57.06 -42.93 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.11 -51.88 55.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.41 -33.54 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.5 -51.62 48.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.588 ' CE ' HG22 ' B' ' 664' ' ' ILE . 55.1 mtm -59.4 -40.39 86.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -36.58 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 51.72 57.93 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -126.92 125.86 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -159.46 177.51 10.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 65.9 mt -128.65 110.82 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 57.5 t -111.27 128.13 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -93.43 -50.4 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -54.68 172.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -111.92 -122.09 4.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 24.4 t -146.84 69.17 12.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -6.63 19.06 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.3 m 66.08 39.4 4.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -52.8 136.19 34.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -133.75 -168.45 11.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 111.39 2.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -128.63 114.87 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.2 mt -139.72 71.61 36.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -167.97 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.625 2.217 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -10.05 59.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 646' ' ' ILE . 39.9 mt -66.99 -10.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -51.88 -26.88 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -47.31 81.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -72.17 -35.52 60.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 45.8 mmm -67.44 -46.46 73.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 647' ' ' ALA . 98.3 t -63.63 -43.98 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.3 98.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.22 -46.88 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.688 HD23 HD23 ' B' ' 654' ' ' LEU . 20.7 mt -55.92 -48.02 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 659' ' ' VAL . 70.7 mt -63.27 -47.21 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 660' ' ' VAL . 37.2 mt -60.68 -39.99 90.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' B' ' 654' ' ' LEU . 26.3 mt -58.54 -52.25 66.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.01 -45.38 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 655' ' ' LEU . 96.4 t -62.18 -36.29 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 656' ' ' LEU . 78.6 t -64.82 -44.63 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.802 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.15 -46.7 89.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.808 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.2 mt -57.99 -50.27 73.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.21 -51.26 58.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 668' ' ' MET . 43.7 mt -55.31 -44.27 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.43 -49.82 69.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.3 mt -68.92 -32.48 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -68.77 -51.74 37.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.597 ' CE ' HG22 ' A' ' 664' ' ' ILE . 53.2 mtm -59.71 -39.02 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.584 ' HE ' HD22 ' B' ' 666' ' ' LEU . 1.7 mtt-85 -73.49 -25.11 60.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -120.26 94.87 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -138.69 132.51 30.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -53.88 106.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.03 113.09 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.43 147.64 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -77.53 169.43 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -124.83 144.77 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.922 0.391 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.36 -133.67 3.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.86 73.73 5.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.94 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 10.1 t 37.37 43.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -128.56 118.89 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -95.46 164.11 24.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -175.01 150.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 58.0 mt 61.01 69.75 1.03 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.732 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.53 -9.73 58.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.68 -11.66 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -53.67 -29.29 37.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.9 m -54.52 -47.66 72.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.47 -38.09 62.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 54.3 mmm -64.19 -44.67 91.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 647' ' ' ALA . 98.2 t -64.46 -45.44 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.81 97.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.2 -46.43 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.688 HD23 HD23 ' A' ' 654' ' ' LEU . 20.5 mt -56.5 -47.65 78.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.0 mt -63.19 -46.69 85.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 660' ' ' VAL . 38.1 mt -61.55 -39.15 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.28 -51.98 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.6 -43.77 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 655' ' ' LEU . 61.2 t -63.59 -36.28 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 656' ' ' LEU . 75.8 t -65.3 -42.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.808 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -63.04 -47.28 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.802 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 26.1 mt -58.74 -48.0 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -58.33 -51.01 61.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.647 HG22 ' CE ' ' B' ' 668' ' ' MET . 31.8 mt -57.03 -41.04 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 111.157 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.49 -51.57 58.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.533 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.584 HD22 ' HE ' ' A' ' 669' ' ' ARG . 37.9 mt -63.46 -31.9 73.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -73.41 -51.7 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.647 ' CE ' HG22 ' B' ' 664' ' ' ILE . 56.2 mtm -57.64 -30.45 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -55.54 -25.47 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -62.35 -17.53 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -138.76 -177.9 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . 0.54 ' O ' HD13 ' B' ' 673' ' ' ILE . 86.8 m-70 -79.25 148.97 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 672' ' ' HIS . 28.5 mm -138.79 129.09 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.22 146.27 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -166.27 163.75 17.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -94.82 -68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 110.93 -116.2 4.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 7.8 t -173.62 68.11 0.34 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -6.72 19.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.22 39.68 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -51.68 165.25 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . 0.483 ' O ' HD11 ' B' ' 646' ' ' ILE . . . -111.08 -166.63 18.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 161.86 44.3 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -167.91 139.99 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 28.7 mt -123.48 69.41 42.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -167.69 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.33 -9.91 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 646' ' ' ILE . 41.2 mt -67.05 -12.24 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -52.69 -31.2 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.0 m -53.71 -49.74 67.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.16 -36.89 86.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 93.1 mmm -65.74 -46.77 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 647' ' ' ALA . 66.3 t -60.1 -46.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.91 98.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.27 -45.69 59.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.552 HD23 HD23 ' B' ' 654' ' ' LEU . 20.4 mt -57.02 -47.89 79.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.8 mt -62.7 -47.07 85.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.7 mt -61.93 -38.43 88.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.33 -51.97 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.26 -43.69 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.5 t -62.79 -35.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 656' ' ' LEU . 72.0 t -65.59 -44.41 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.794 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -61.07 -45.43 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.812 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 20.1 mt -57.39 -51.57 68.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -56.72 -50.59 62.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.569 HG22 ' CE ' ' A' ' 668' ' ' MET . 58.8 mt -56.83 -44.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.44 -50.93 59.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.38 -34.34 74.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.45 -51.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.569 ' CE ' HG22 ' A' ' 664' ' ' ILE . 54.8 mtm -59.27 -44.09 92.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.428 ' HG3' HD22 ' B' ' 666' ' ' LEU . 6.0 mtm180 -66.78 -27.63 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -145.86 98.18 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.74 116.15 31.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -107.71 100.38 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 673' ' ' ILE . 1.1 tt -90.01 108.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.8 139.3 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -81.43 -70.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.69 145.1 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 170.93 92.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 5.2 t 56.42 73.82 0.77 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.63 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 t -168.25 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -56.62 130.59 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 110.22 78.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -142.49 111.07 6.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 59.5 mt 51.13 70.21 2.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -168.26 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.751 2.301 . . . . 0.0 112.364 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -10.23 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.483 HD11 ' O ' ' A' ' 640' ' ' GLY . 42.0 mt -66.33 -12.65 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.615 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -51.83 -30.98 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.1 m -53.97 -49.47 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.28 -37.69 86.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 56.1 mmm -65.05 -47.34 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.615 HG23 ' O ' ' B' ' 647' ' ' ALA . 98.9 t -59.64 -46.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.68 98.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.16 -46.04 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.552 HD23 HD23 ' A' ' 654' ' ' LEU . 20.7 mt -56.41 -47.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.673 ' O ' HG23 ' B' ' 659' ' ' VAL . 68.6 mt -63.11 -46.44 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.715 ' O ' HG23 ' B' ' 660' ' ' VAL . 36.1 mt -62.22 -38.05 87.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.415 ' CD1' HD22 ' A' ' 654' ' ' LEU . 25.7 mt -59.99 -51.89 67.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.17 -42.72 81.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 655' ' ' LEU . 45.2 t -63.75 -36.29 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.715 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.4 t -64.94 -44.44 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.812 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -61.56 -45.42 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.794 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 19.9 mt -56.92 -51.43 69.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.32 58.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.579 HG22 ' CE ' ' B' ' 668' ' ' MET . 56.8 mt -55.91 -43.86 76.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -57.03 -51.66 56.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.428 HD22 ' HG3' ' A' ' 669' ' ' ARG . 23.4 mt -68.35 -34.85 76.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.57 -51.69 57.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.579 ' CE ' HG22 ' B' ' 664' ' ' ILE . 55.7 mtm -58.74 -41.94 87.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -72.23 -24.41 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.8 ttm-85 -58.33 -22.1 51.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -144.94 -177.45 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -77.23 161.9 27.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.492 ' O ' HD12 ' B' ' 673' ' ' ILE . 1.1 pp -144.24 153.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.31 -178.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -136.34 128.35 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -142.85 126.46 16.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -91.75 77.88 1.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 89.7 m 58.22 69.23 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.49 32.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 31.1 m -66.85 -28.11 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -112.99 100.86 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 158.61 -76.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 78.03 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 121.36 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 63.8 mt 51.12 73.0 1.05 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.608 ' HB2' HD12 ' A' ' 646' ' ' ILE . 53.6 Cg_endo -69.83 -169.29 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -11.35 60.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.608 HD12 ' HB2' ' A' ' 644' ' ' PRO . 3.5 mp -66.64 -14.31 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.02 -30.86 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 21.6 m -54.72 -49.84 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.81 73.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . 0.413 ' HB3' ' HE2' ' A' ' 650' ' ' MET . 41.9 mmm -65.29 -54.05 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.25 -41.63 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.34 -36.48 78.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.67 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.788 HD23 HD23 ' B' ' 654' ' ' LEU . 19.3 mt -61.7 -48.89 78.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 659' ' ' VAL . 29.7 mt -64.73 -47.56 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.701 ' O ' HG23 ' A' ' 660' ' ' VAL . 31.4 mt -61.0 -43.9 98.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.841 HD22 HD11 ' B' ' 658' ' ' LEU . 19.9 mt -55.06 -52.24 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.978 HD11 HD22 ' B' ' 657' ' ' LEU . 19.6 mt -55.59 -45.68 77.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 655' ' ' LEU . 58.6 t -64.26 -36.13 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 656' ' ' LEU . 72.6 t -65.31 -45.45 93.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.81 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -60.43 -47.82 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.828 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 24.9 mt -58.39 -50.79 72.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.82 61.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.626 HG22 ' CE ' ' A' ' 668' ' ' MET . 71.0 mt -57.9 -40.88 78.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.148 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.24 -48.29 86.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.12 -32.74 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -67.83 -51.12 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.626 ' CE ' HG22 ' A' ' 664' ' ' ILE . 51.1 mtm -62.66 -46.97 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -44.71 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -144.57 100.65 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 33.2 ttt-85 -99.29 112.23 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . 0.531 ' O ' HD13 ' A' ' 673' ' ' ILE . 2.1 t-80 -126.11 106.69 9.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 672' ' ' HIS . 34.3 mm -135.48 127.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 33.7 m -70.73 144.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.17 150.03 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 170.67 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 107.83 128.94 5.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 35.0 t -118.54 68.2 7.73 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.604 0.716 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -6.71 19.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.315 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 66.13 38.97 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -64.41 134.79 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -91.86 -177.35 42.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.73 62.67 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.718 2.279 . . . . 0.0 112.31 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.58 -17.79 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 20.1 mm -113.24 74.25 1.95 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' B' ' 646' ' ' ILE . 53.9 Cg_endo -69.79 -168.38 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -10.24 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.568 HG22 ' HG2' ' B' ' 644' ' ' PRO . 1.5 tp -64.82 -14.78 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -48.81 -34.97 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.4 m -51.04 -48.73 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.64 -32.95 71.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 55.6 mmm -64.99 -53.97 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 647' ' ' ALA . 30.3 t -60.09 -42.32 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.32 -35.99 77.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.92 -41.09 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.788 HD23 HD23 ' A' ' 654' ' ' LEU . 19.1 mt -62.17 -48.79 78.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.524 ' O ' HG23 ' B' ' 659' ' ' VAL . 19.5 mt -65.69 -45.65 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.682 ' O ' HG23 ' B' ' 660' ' ' VAL . 29.1 mt -62.61 -41.87 99.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.978 HD22 HD11 ' A' ' 658' ' ' LEU . 19.5 mt -57.33 -52.35 65.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.841 HD11 HD22 ' A' ' 657' ' ' LEU . 18.8 mt -55.71 -44.44 77.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 655' ' ' LEU . 70.2 t -65.13 -36.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 656' ' ' LEU . 70.3 t -66.13 -42.62 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.828 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -62.31 -49.02 77.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.81 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 24.3 mt -58.71 -48.05 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.9 -50.45 65.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.643 HG22 ' CE ' ' B' ' 668' ' ' MET . 32.4 mt -59.16 -39.24 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.892 0.377 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -59.53 -51.8 56.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 41.6 mt -63.03 -32.26 73.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -73.49 -51.42 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.643 ' CE ' HG22 ' B' ' 664' ' ' ILE . 61.6 mtm -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -56.36 -45.06 80.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -55.31 33.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 62.69 21.49 12.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -170.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 24.7 mm -119.66 110.74 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.05 -19.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -51.9 -40.2 60.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -52.74 -44.88 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 52.61 -167.63 0.97 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 47.6 t -167.57 68.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.738 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 80.13 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 10.1 t 37.47 43.3 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -121.13 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 163.65 -167.85 37.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.42 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 111.94 2.94 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -105.16 12.15 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 58.4 mt 50.39 70.63 1.91 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.632 0.73 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.29 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -9.78 59.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 646' ' ' ILE . 38.1 mt -68.16 -11.45 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 651' ' ' VAL . . . -54.74 -29.01 52.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -55.03 -48.42 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.77 -37.16 66.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 69.2 mmm -65.06 -44.7 88.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 647' ' ' ALA . 69.2 t -64.1 -45.04 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.38 -41.42 96.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.39 62.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.574 HD23 HD23 ' B' ' 654' ' ' LEU . 21.1 mt -59.66 -48.36 81.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.0 mt -63.51 -47.72 80.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 660' ' ' VAL . 32.3 mt -62.17 -38.41 88.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.601 HD22 HD11 ' B' ' 658' ' ' LEU . 20.5 mt -58.46 -52.29 66.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.588 HD11 HD22 ' B' ' 657' ' ' LEU . 19.5 mt -58.28 -41.21 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 655' ' ' LEU . 57.9 t -65.22 -36.23 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 656' ' ' LEU . 69.1 t -65.25 -44.7 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' B' ' 661' ' ' ALA . . . -61.53 -46.98 87.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.715 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 30.0 mt -59.74 -50.15 74.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.84 -48.61 65.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.588 HG22 ' CE ' ' A' ' 668' ' ' MET . 22.2 mt -58.0 -46.97 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.8 -49.16 62.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 22.3 mt -70.58 -35.19 72.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -63.9 -50.91 66.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.588 ' CE ' HG22 ' A' ' 664' ' ' ILE . 49.6 mtm -63.1 -38.67 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -71.32 -25.14 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -111.68 92.05 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.7 138.59 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 68.3 m170 -56.17 133.09 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.11 113.6 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.24 145.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -90.96 165.83 13.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.74 -30.56 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -129.86 -116.07 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 95.4 m 53.49 72.73 1.06 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.714 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 92.27 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.4 m 59.34 53.38 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -109.87 137.99 46.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 106.35 70.21 0.75 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 147.12 61.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -87.93 -48.0 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 56.7 mt 49.77 68.68 3.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.549 ' HB2' HD12 ' B' ' 646' ' ' ILE . 53.1 Cg_endo -69.79 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.35 -12.69 60.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.549 HD12 ' HB2' ' B' ' 644' ' ' PRO . 4.5 mp -67.95 -13.75 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.655 ' O ' HG23 ' B' ' 651' ' ' VAL . . . -52.78 -29.22 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.4 m -55.33 -47.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.36 -37.69 70.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 63.4 mmm -65.17 -42.78 93.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 647' ' ' ALA . 91.8 t -64.95 -45.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.5 97.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.02 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.574 HD23 HD23 ' A' ' 654' ' ' LEU . 21.5 mt -60.05 -48.05 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.678 ' O ' HG23 ' B' ' 659' ' ' VAL . 78.8 mt -63.33 -48.31 78.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.722 ' O ' HG23 ' B' ' 660' ' ' VAL . 32.9 mt -61.64 -39.31 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.588 HD22 HD11 ' A' ' 658' ' ' LEU . 20.8 mt -57.56 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.601 HD11 HD22 ' A' ' 657' ' ' LEU . 19.6 mt -57.95 -42.26 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 655' ' ' LEU . 40.6 t -64.68 -36.18 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 656' ' ' LEU . 69.7 t -64.82 -44.74 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . . . -62.04 -46.42 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.722 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 29.4 mt -59.71 -50.32 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -54.82 -49.03 63.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.609 HG22 ' CE ' ' B' ' 668' ' ' MET . 22.1 mt -57.61 -46.92 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.891 0.377 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.71 -50.09 59.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.47 -36.28 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.9 -51.17 67.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.609 ' CE ' HG22 ' B' ' 664' ' ' ILE . 49.8 mtm -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -71.71 -25.75 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 ttm-85 -75.22 -7.25 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -117.18 -174.86 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -80.61 -1.65 43.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 50.5 mm -59.79 96.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.34 151.96 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -73.29 -69.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -58.04 178.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 109.48 -22.05 25.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.16 160.35 71.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.656 0.741 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 80.15 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 17.2 p 49.59 45.45 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.43 173.27 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.42 75.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.88 2.18 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -113.72 -19.68 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 63.2 mt 51.44 74.97 0.71 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.483 ' HG2' HG22 ' A' ' 646' ' ' ILE . 53.9 Cg_endo -69.73 -166.24 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.24 -11.04 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.483 HG22 ' HG2' ' A' ' 644' ' ' PRO . 4.7 tt -59.66 -18.33 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.66 -36.83 26.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 11.7 m -50.04 -46.24 52.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.39 64.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.534 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . 0.44 ' HB3' ' HE3' ' A' ' 650' ' ' MET . 56.8 mmm -64.46 -53.72 43.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 43.2 t -61.1 -43.6 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -68.28 -36.33 84.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.0 -40.52 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.754 HD23 HD23 ' B' ' 654' ' ' LEU . 21.2 mt -61.86 -48.56 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 659' ' ' VAL . 92.7 mt -64.89 -46.62 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 660' ' ' VAL . 41.4 mt -62.32 -42.86 99.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.887 HD22 HD11 ' B' ' 658' ' ' LEU . 18.3 mt -55.67 -52.48 63.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.899 HD11 HD22 ' B' ' 657' ' ' LEU . 18.3 mt -55.87 -45.62 78.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 655' ' ' LEU . 48.7 t -64.24 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 656' ' ' LEU . 73.2 t -66.0 -45.26 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.795 ' HB1' ' HG ' ' B' ' 662' ' ' LEU . . . -59.92 -48.2 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.787 ' HG ' ' HB1' ' B' ' 661' ' ' ALA . 19.8 mt -55.55 -50.62 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.95 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.614 HG22 ' CE ' ' A' ' 668' ' ' MET . 69.9 mt -54.61 -41.93 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.06 -52.09 54.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.467 HD22 ' NE ' ' B' ' 669' ' ' ARG . 28.0 mt -65.72 -34.25 77.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.64 -50.94 55.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.614 ' CE ' HG22 ' A' ' 664' ' ' ILE . 53.3 mtm -61.38 -31.43 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.411 ' CD ' HD22 ' B' ' 666' ' ' LEU . 0.7 OUTLIER -56.03 -45.49 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.42 83.4 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -102.68 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -51.69 103.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.61 -29.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.89 137.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -167.16 155.38 9.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -60.45 143.42 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 136.05 -23.19 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.85 160.51 58.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.62 0.724 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.82 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 3.0 m 54.12 36.46 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -135.48 155.83 49.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 146.7 70.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.67 48.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -96.48 -37.97 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 63.4 mt 50.77 72.26 1.29 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.558 ' HG2' HG22 ' B' ' 646' ' ' ILE . 53.7 Cg_endo -69.72 -168.29 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -10.64 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.558 HG22 ' HG2' ' B' ' 644' ' ' PRO . 7.3 tt -63.04 -15.92 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.64 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.3 m -50.95 -47.59 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -70.41 -32.13 68.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 54.1 mmm -65.03 -54.02 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.46 -42.47 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -69.0 -36.61 81.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.67 -41.12 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.754 HD23 HD23 ' A' ' 654' ' ' LEU . 21.2 mt -61.73 -49.01 78.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.527 ' O ' HG23 ' B' ' 659' ' ' VAL . 59.5 mt -64.48 -47.04 80.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.69 ' O ' HG23 ' B' ' 660' ' ' VAL . 28.4 mt -61.87 -43.45 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.899 HD22 HD11 ' A' ' 658' ' ' LEU . 20.1 mt -55.09 -52.48 63.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.887 HD11 HD22 ' A' ' 657' ' ' LEU . 18.4 mt -55.98 -44.97 79.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 655' ' ' LEU . 60.7 t -64.69 -36.32 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 656' ' ' LEU . 74.0 t -66.08 -44.25 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . 0.787 ' HB1' ' HG ' ' A' ' 662' ' ' LEU . . . -60.73 -48.34 82.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.795 ' HG ' ' HB1' ' A' ' 661' ' ' ALA . 20.2 mt -55.58 -50.83 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -57.58 -53.37 45.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.578 HG22 ' CE ' ' B' ' 668' ' ' MET . 63.1 mt -58.58 -38.13 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -58.88 -50.47 67.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.411 HD22 ' CD ' ' A' ' 669' ' ' ARG . 25.4 mt -67.4 -32.75 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -69.71 -51.32 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . 0.578 ' CE ' HG22 ' B' ' 664' ' ' ILE . 62.9 mtm -56.35 -51.92 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . 0.467 ' NE ' HD22 ' A' ' 666' ' ' LEU . 5.4 mtm180 -65.15 -46.62 80.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.79 32.32 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -136.43 133.08 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . 0.641 ' O ' HG23 ' B' ' 674' ' ' VAL . 18.9 m-70 -110.25 177.93 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 10.3 tt -59.4 -27.26 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 672' ' ' HIS . 5.4 t 63.54 46.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -72.02 -63.47 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -98.75 142.48 30.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 stop_ save_