data_2l9u_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 2l9u _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 71.420000000000002 111.129 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.15 -52.65 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 111.123 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.67 -40.75 84.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.969 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.3 mtm -71.21 -55.27 8.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 74.299999999999997 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.22 -52.88 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 64.430000000000007 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.08 -50.45 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.05 -51.7 56.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 60.109999999999999 112.457 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.51 -33.16 85.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.430000000000007 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.34 -51.94 15.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 70.049999999999997 111.174 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -55.13 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.34 -47.46 81.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.150000000000006 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.14 -49.07 79.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 74.319999999999993 110.898 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -63.83 -12.48 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.010000000000005 110.837 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.59 -32.37 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.319999999999993 110.962 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -59.93 -56.21 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 17.2 mmm -62.53 -48.82 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.9 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.7 84.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.519999999999996 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.22 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 72.400000000000006 110.915 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 71.8 m -60.61 -44.66 96.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 111.168 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.66 -50.49 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 53.539999999999999 111.161 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.21 -50.57 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 73.540000000000006 111.187 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.29 97.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 61.119999999999997 111.09 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.8 50.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 74.129999999999995 112.459 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.59 -51.19 70.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 65.209999999999994 110.897 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.11 -52.07 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 75.430000000000007 111.142 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.37 -36.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 72.519999999999996 111.104 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.39 -52.78 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.108 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.39 -39.92 80.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.540000000000006 110.898 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.41 -55.15 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 73.040000000000006 110.949 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.12 -53.05 62.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 55.329999999999998 110.919 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.52 -50.88 66.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 75.019999999999996 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.44 58.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 73.150000000000006 112.497 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.57 -32.83 84.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.642 -0.79 . . . . 73.25 112.439 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.1 m -73.74 -52.01 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 54.219999999999999 111.142 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -55.75 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.200000000000003 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.96 -46.91 81.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -59.85 -49.42 77.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.944 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -52.3 65.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.972 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -52.13 -53.82 38.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 72.140000000000001 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 C-N-CA 120.75 -0.738 . . . . 73.400000000000006 112.471 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 73.129999999999995 111.116 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.5 mt -66.7 -52.64 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 111.119 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.59 -41.24 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.849 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.07 -55.55 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 64.420000000000002 110.866 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -56.65 -53.73 54.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.5 mt -54.98 -49.28 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 64.150000000000006 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.87 -52.32 53.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 73.310000000000002 112.548 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.11 80.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 74.409999999999997 112.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 51.7 m -73.47 -53.81 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 75.219999999999999 111.139 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.6 -55.08 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.13 -50.58 72.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 72.349999999999994 110.915 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -57.6 -46.72 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.219999999999999 110.916 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 74.239999999999995 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 73.400000000000006 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.81 -12.57 36.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 73.030000000000001 110.82 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.61 -32.34 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.871 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.0 -56.18 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.25 111.144 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -62.52 -48.96 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.46 83.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 73.510000000000005 111.104 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.76 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.94 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.2 m -60.32 -43.56 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 64.430000000000007 111.105 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.57 -52.13 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 75.430000000000007 111.202 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.0 mt -59.01 -46.17 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.510000000000005 111.196 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.95 93.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 75.099999999999994 111.086 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.1 -52.12 54.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.310000000000002 112.466 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.02 -44.71 91.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 73.439999999999998 110.882 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.43 -53.71 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.340000000000003 111.13 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 91.9 t -55.04 -32.31 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 111.195 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.91 -52.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 75.340000000000003 111.13 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.47 -40.6 83.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 70.030000000000001 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.8 mtm -71.79 -55.52 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 74.140000000000001 110.952 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.61 -53.85 52.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.400000000000006 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.64 -49.5 70.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 73.120000000000005 110.866 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.99 55.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 61.530000000000001 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.42 -31.86 80.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 73.5 112.447 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.5 m -73.93 -54.11 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 65.310000000000002 111.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -56.1 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.853 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.65 -50.06 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 74.430000000000007 110.907 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.17 -47.03 82.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.129999999999995 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -52.97 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 73.129999999999995 110.944 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -52.55 -37.78 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 65.450000000000003 112.482 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 73.519999999999996 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.14 -52.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.087 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.93 -40.72 85.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.2 mtm -71.09 -54.91 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 73.439999999999998 110.899 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.63 -53.16 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.540000000000006 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.02 -49.03 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.329999999999998 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.38 52.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 54.210000000000001 112.434 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.77 79.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 75.129999999999995 112.443 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.31 -51.05 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 72.239999999999995 111.147 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -54.98 40.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 74.519999999999996 110.886 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.96 -46.54 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.7 -49.05 79.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.788 0.328 . . . . 73.430000000000007 111.099 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.87 -12.35 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.450000000000003 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.72 -32.3 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 71.530000000000001 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -56.21 24.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 111.12 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -62.58 -48.82 77.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 74.120000000000005 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.96 84.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.329999999999998 111.138 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.13 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.92 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 72.3 m -60.42 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.66 -50.58 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 74.150000000000006 111.149 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.11 -50.43 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 71.040000000000006 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.329999999999998 111.121 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.06 -51.7 52.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 73.230000000000004 112.47 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.6 -50.9 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 72.430000000000007 110.864 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.5 t -53.16 -51.95 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.49 -36.42 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 111.119 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.31 -52.76 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 75.219999999999999 111.124 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.76 -39.85 82.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 44.5 mtm -72.28 -54.82 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 73.219999999999999 110.832 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.67 -53.27 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.918 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.26 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 74.140000000000001 112.518 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.61 -31.38 78.39 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.809 -0.71 . . . . 62.130000000000003 112.451 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.85 -51.2 17.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 73.25 111.095 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.68 -55.61 31.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.58 -46.11 84.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 110.932 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.43 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -52.46 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.209999999999994 110.946 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -52.2 -53.61 41.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 65.200000000000003 110.851 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 63.240000000000002 112.455 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.837 0.351 . . . . 65.209999999999994 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.19 -52.64 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.530000000000001 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 74.109999999999999 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.39 -52.9 63.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.877 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.06 -50.52 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 75.519999999999996 110.953 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.57 57.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 62.450000000000003 112.455 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.47 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 65.409999999999997 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.2 m -73.49 -53.81 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 74.409999999999997 111.148 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.14 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 73.519999999999996 110.903 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.46 -51.27 70.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 110.973 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.37 -46.2 80.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.219999999999999 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 73.439999999999998 110.905 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.785 0.326 . . . . 75.510000000000005 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -57.77 -16.02 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.329999999999998 110.91 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 15.6 mt -68.62 -33.04 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.89 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.55 -55.69 31.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.224 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -62.68 -49.59 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.350000000000001 110.847 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 74.420000000000002 111.059 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.8 mt -61.35 -43.71 98.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.91 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.5 m -60.26 -44.36 95.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 75.129999999999995 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.66 -50.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 65.230000000000004 111.06 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.86 -50.89 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 75.209999999999994 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.18 97.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.043 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 71.040000000000006 112.475 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.59 -51.03 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 74.519999999999996 110.909 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 55.7 t -53.34 -52.31 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 75.010000000000005 111.14 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 97.3 t -55.11 -36.41 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 111.094 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.37 -52.88 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 111.096 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.65 -39.7 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.450000000000003 110.841 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -72.47 -54.98 7.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 73.310000000000002 110.846 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.5 -52.97 63.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 74.450000000000003 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.6 -50.87 67.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.17 -51.32 59.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 63.299999999999997 112.452 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.18 -32.97 85.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 73.140000000000001 112.529 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -74.14 -54.13 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.77 0.319 . . . . 73.430000000000007 111.12 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.16 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 74.420000000000002 110.889 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -56.64 -50.97 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 75.510000000000005 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.21 -46.7 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 53.020000000000003 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -51.44 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 74.209999999999994 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -53.49 -32.13 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 71.140000000000001 110.897 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 74.109999999999999 112.44 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.120000000000005 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 111.133 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.94 -40.67 85.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.8 mtm -71.13 -54.96 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.915 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.65 -53.02 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 72.439999999999998 110.884 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.05 -49.1 72.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 75.019999999999996 110.931 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.5 52.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 52.140000000000001 112.479 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.81 79.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 72.120000000000005 112.482 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.44 -51.06 18.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 65.230000000000004 111.089 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -54.84 42.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 75.219999999999999 110.86 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.96 -46.5 85.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.926 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.814 0.34 . . . . 73.349999999999994 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -64.28 -12.11 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.816 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.61 -32.46 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 73.099999999999994 110.91 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.94 -56.25 24.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 74.010000000000005 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -62.54 -48.75 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.310000000000002 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.86 84.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 74.510000000000005 111.105 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.4 mt -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 75.230000000000004 110.942 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 77.0 m -60.27 -44.61 95.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.69 -50.96 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.181 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.15 -50.24 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 75.239999999999995 111.123 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.24 97.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 71.439999999999998 111.102 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.8 -51.92 52.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 71.120000000000005 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.49 -50.4 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 72.299999999999997 110.89 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.55 -52.14 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.540000000000006 111.088 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 94.1 t -55.55 -36.15 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 111.148 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.35 -52.84 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.150000000000006 111.114 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.7 -39.74 81.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 110.928 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.6 mtm -72.33 -54.97 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.81 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.55 -53.22 60.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 75.120000000000005 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.48 -49.46 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.230000000000004 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.38 52.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 72.219999999999999 112.469 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.38 78.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 72.430000000000007 112.481 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.5 m -73.87 -51.22 16.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 71.209999999999994 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -55.57 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 74.239999999999995 110.897 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.44 -46.19 83.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 74.340000000000003 110.945 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.38 -49.6 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -52.22 65.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.872 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -51.84 -53.62 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 64.510000000000005 110.79 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 64.420000000000002 112.493 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.855 0.36 . . . . 74.329999999999998 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.03 -52.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.57 -40.93 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 71.299999999999997 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.1 mtm -71.13 -55.41 8.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.949 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -56.96 -52.91 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.219999999999999 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.19 -50.11 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.903 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.28 59.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 65.409999999999997 112.519 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.55 -32.72 82.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 73.040000000000006 112.483 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.5 m -73.39 -51.6 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.540000000000006 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -54.92 38.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.519999999999996 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.92 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.35 -47.71 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 72.530000000000001 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.823 0.345 . . . . 61.140000000000001 111.105 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -12.48 36.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 73.150000000000006 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.76 -32.54 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 64.540000000000006 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.87 -56.25 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 72.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -62.49 -48.95 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 64.120000000000005 110.859 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.02 83.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.109 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.1 mt -61.09 -43.66 98.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.7 m -60.15 -44.73 94.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.5 111.18 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.68 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.01 -50.27 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 73.310000000000002 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.15 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 71.530000000000001 111.135 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.87 -51.9 50.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 72.010000000000005 112.499 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.45 -51.03 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 73.549999999999997 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 52.5 t -53.05 -52.02 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.119 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 95.2 t -55.35 -36.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.430000000000007 111.111 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 36.8 mt -67.23 -52.81 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 111.141 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.33 -40.05 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.34 -55.42 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 70.420000000000002 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -56.74 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.77 -50.44 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.1 60.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.837 -0.697 . . . . 45.329999999999998 112.485 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.2 81.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.664 -0.779 . . . . 74.049999999999997 112.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -74.09 -51.62 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 72.439999999999998 111.198 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -55.83 27.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 110.818 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.5 -47.42 81.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.879 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.31 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.140000000000001 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -52.2 66.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.918 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.27 -31.7 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 60.149999999999999 112.435 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.307 . . . . 74.340000000000003 111.12 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.11 -52.64 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 111.124 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.61 -40.93 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.17 -55.34 8.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 64.219999999999999 110.854 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.11 -53.0 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.209999999999994 110.909 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -55.06 -50.16 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 75.519999999999996 110.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -51.53 58.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 74.239999999999995 112.509 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.18 -32.81 83.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 53.299999999999997 112.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.45 -52.14 14.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 72.510000000000005 111.179 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.89 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 110.86 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.04 -48.42 80.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -58.92 -47.59 84.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 71.329999999999998 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 75.530000000000001 110.966 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.813 0.339 . . . . 63.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.93 -19.31 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.834 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.48 -33.6 76.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.450000000000003 110.901 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.7 m -59.54 -55.62 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 75.239999999999995 111.081 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.28 -49.87 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.882 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.99 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 55.229999999999997 111.063 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.94 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.299999999999997 110.91 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 83.6 m -60.41 -44.59 95.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 74.409999999999997 111.108 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.61 -50.21 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 72.340000000000003 111.165 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -50.94 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 61.119999999999997 111.083 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.28 97.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.439999999999998 111.111 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.61 -51.79 49.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 63.030000000000001 112.447 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.74 -51.18 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 73.439999999999998 110.91 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.0 t -52.94 -52.34 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 60.539999999999999 111.111 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 94.9 t -55.33 -36.39 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 73.040000000000006 111.131 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.31 -52.8 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 111.165 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.41 -39.93 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.5 mtm -72.44 -55.22 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 75.430000000000007 110.875 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.1 mtm -57.08 -53.08 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 72.299999999999997 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.54 -50.65 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 74.530000000000001 110.949 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.18 60.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.219999999999999 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.409999999999997 112.42 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 54.9 m -74.0 -52.3 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 71.430000000000007 111.15 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.89 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.868 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.32 -47.96 80.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -58.77 -47.85 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -52.04 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 75.120000000000005 110.986 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -56.11 -30.22 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.409999999999997 110.904 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 74.5 112.525 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.705 0.288 . . . . 72.219999999999999 111.09 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.0 -52.8 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 74.349999999999994 111.176 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.74 -40.72 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -71.15 -55.33 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.4 mtm -57.21 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.885 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -54.95 -48.93 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 55.509999999999998 110.904 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.8 -52.96 49.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 63.299999999999997 112.453 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.74 79.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 62.130000000000003 112.523 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.3 m -73.36 -51.24 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 74.120000000000005 111.133 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -54.9 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 70.230000000000004 110.907 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.76 -46.64 84.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 71.219999999999999 110.941 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.76 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 75.120000000000005 110.907 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.83 0.348 . . . . 72.450000000000003 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -63.57 -12.79 35.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 75.319999999999993 110.854 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 10.2 mt -70.46 -32.41 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 70.200000000000003 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -59.99 -56.2 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 75.010000000000005 111.088 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 43.1 mmm -62.45 -49.19 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 60.229999999999997 110.899 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.4 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 64.219999999999999 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 72.299999999999997 110.947 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 89.0 m -60.44 -44.27 95.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 54.539999999999999 111.13 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.27 -50.74 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 62.5 111.147 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.87 -50.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.120000000000005 111.101 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.09 97.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 73.329999999999998 111.074 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.7 54.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 65.349999999999994 112.494 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.49 -50.1 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 74.299999999999997 110.937 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.23 -52.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 71.319999999999993 111.118 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.14 -36.17 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 64.040000000000006 111.176 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.24 -53.08 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 74.540000000000006 111.104 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.46 -39.84 81.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 65.319999999999993 110.916 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -72.23 -55.37 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.439999999999998 110.883 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -57.2 -53.16 61.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.45 -49.42 70.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 74.409999999999997 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.83 -52.62 51.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 74.409999999999997 112.49 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.33 78.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 75.329999999999998 112.488 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.1 m -73.81 -51.37 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 73.120000000000005 111.092 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -55.58 32.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 75.129999999999995 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.29 -46.32 83.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.439999999999998 110.951 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.42 -49.65 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.924 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.86 67.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 73.540000000000006 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.08 -53.68 39.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 72.010000000000005 110.822 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 54.119999999999997 112.451 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 73.439999999999998 111.142 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.07 -52.8 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 73.5 111.147 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -40.78 84.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 110.897 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.9 mtm -71.23 -55.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.349999999999994 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.23 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 72.310000000000002 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.11 -50.64 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.219999999999999 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -50.74 64.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 73.409999999999997 112.462 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.44 -33.16 83.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.704 -0.76 . . . . 73.120000000000005 112.509 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.6 m -73.47 -53.56 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 74.040000000000006 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -54.99 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 54.32 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.37 -51.27 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.899 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.06 -45.0 79.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 71.439999999999998 110.933 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 73.040000000000006 110.95 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 71.120000000000005 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.86 -12.31 35.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 71.409999999999997 110.803 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.81 -32.25 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 73.439999999999998 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.02 -56.1 25.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.540000000000006 111.232 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.71 -48.83 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.927 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.65 -43.25 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.962 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 81.0 m -60.75 -44.16 97.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 72.329999999999998 111.132 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.41 -50.93 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 111.135 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.84 -49.51 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 63.030000000000001 111.116 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 64.519999999999996 111.122 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.23 -51.55 53.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 72.109999999999999 112.446 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.47 -50.68 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 73.040000000000006 110.925 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.75 -51.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 111.151 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 96.6 t -55.15 -36.5 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 111.084 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.44 -52.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.150000000000006 111.1 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.45 -39.79 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.109999999999999 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.8 mtm -72.43 -55.21 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 71.549999999999997 110.924 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.07 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.818 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.68 -51.11 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -50.43 67.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 61.329999999999998 112.505 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.25 -32.67 82.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 73.049999999999997 112.477 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.29 -53.65 9.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 74.319999999999993 111.205 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.25 -56.13 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -50.83 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 74.329999999999998 110.908 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -55.68 -45.49 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -52.05 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 71.409999999999997 110.899 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -52.29 -31.69 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 64.239999999999995 110.818 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 74.310000000000002 112.455 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.351 . . . . 75.450000000000003 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.07 -52.7 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.510000000000005 111.136 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.8 -40.68 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.4 mtm -71.22 -55.24 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 64.099999999999994 110.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.23 -53.12 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 71.349999999999994 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.0 -49.61 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 71.200000000000003 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.01 -51.99 55.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 65.120000000000005 112.473 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.14 -32.59 82.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 55.119999999999997 112.513 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.34 -52.68 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 75.010000000000005 111.158 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.0 -55.14 34.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 74.319999999999993 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.219999999999999 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.44 -43.49 96.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 71.239999999999995 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 75.510000000000005 110.912 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.6 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.825 0.345 . . . . 75.030000000000001 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -64.26 -12.05 37.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 74.530000000000001 110.895 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.5 mt -70.75 -32.29 69.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.349999999999994 110.848 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.13 -56.27 23.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 111.054 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.63 -48.71 78.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 110.836 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.68 84.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 63.020000000000003 111.086 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.25 -43.44 98.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 73.25 110.922 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 75.0 m -60.5 -44.67 95.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 75.400000000000006 111.107 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.53 -50.49 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.340000000000003 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.57 -50.36 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 111.112 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.11 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.549999999999997 111.087 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.84 -51.89 50.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 73.329999999999998 112.46 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.7 -51.12 71.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.842 0.354 . . . . 74.439999999999998 110.838 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.97 -52.16 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 111.127 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 99.4 t -55.51 -36.37 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 71.140000000000001 111.09 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.31 -52.87 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 74.25 111.138 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.52 -39.82 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.44 -55.06 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 73.519999999999996 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.28 -53.2 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -54.53 -49.84 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 75.430000000000007 110.967 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.83 56.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 72.219999999999999 112.471 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.11 81.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 71.109999999999999 112.446 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.85 -52.73 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 73.319999999999993 111.098 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.9 -56.04 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.99 -47.63 80.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.954 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -60.04 -44.05 94.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.93 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.47 56.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 75.420000000000002 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -51.89 -38.27 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.540000000000006 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 72.430000000000007 112.52 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 73.430000000000007 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.84 -52.62 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.063 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.8 -41.07 85.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 37.2 mtm -70.99 -55.47 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 72.230000000000004 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.9 mtm -56.83 -53.78 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 110.829 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.1 mt -55.08 -48.58 73.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 74.140000000000001 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.16 -53.23 46.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 51.420000000000002 112.471 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.0 -31.96 81.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 53.340000000000003 112.457 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.44 -53.72 10.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 73.140000000000001 111.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -55.08 35.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.67 -49.5 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 75.239999999999995 110.963 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.72 -48.5 80.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.109999999999999 110.865 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 75.340000000000003 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.834 0.349 . . . . 74.430000000000007 111.059 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -64.14 -12.11 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.78 -32.41 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 72.299999999999997 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.03 -56.14 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 75.049999999999997 111.161 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 78.5 mtm -62.6 -48.72 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 72.409999999999997 110.889 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.3 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.439999999999998 111.145 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.91 -43.63 98.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.933 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.36 -43.63 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 111.1 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.4 -52.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.68 94.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 74.109999999999999 111.153 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.47 -52.06 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 75.219999999999999 112.466 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.95 -45.12 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 75.439999999999998 110.927 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 63.7 t -59.19 -53.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 73.420000000000002 111.134 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 94.5 t -54.92 -32.57 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.209999999999994 111.092 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 23.8 mt -66.84 -52.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.127 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.5 -40.59 83.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 110.931 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 36.9 mtm -71.76 -55.47 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 74.340000000000003 110.841 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.76 -54.05 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 75.109999999999999 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.929 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.03 48.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 62.329999999999998 112.501 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.04 -31.7 80.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 64.019999999999996 112.46 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 49.5 m -73.55 -54.05 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 74.200000000000003 111.204 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -55.97 24.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.926 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.01 -49.29 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 74.409999999999997 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -58.33 -48.69 79.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.925 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -52.54 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.420000000000002 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -53.35 -53.97 43.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 110.892 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 44.210000000000001 112.465 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.738 0.304 . . . . 74.150000000000006 111.087 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.97 -52.75 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.53 -40.92 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 63.420000000000002 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.14 -55.37 8.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.510000000000005 110.874 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.01 -53.13 61.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.768 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.01 -50.16 69.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 72.430000000000007 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.8 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.716 . . . . 62.439999999999998 112.486 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.07 -32.66 83.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 61.299999999999997 112.514 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.42 -51.55 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 75.239999999999995 111.127 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -55.0 39.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 62.43 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.55 -47.03 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -60.61 -48.77 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 75.409999999999997 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.321 . . . . 75.239999999999995 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -11.94 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.854 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.59 -32.28 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.230000000000004 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 111.178 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -62.69 -48.87 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 71.219999999999999 110.829 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.47 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 111.099 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.39 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 74.409999999999997 110.919 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.4 m -60.63 -44.79 95.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 111.129 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.65 -50.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 74.409999999999997 111.138 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.88 -50.49 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 75.230000000000004 111.148 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.2 98.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.450000000000003 111.035 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.9 -51.75 51.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 64.430000000000007 112.461 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.63 -51.09 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 71.400000000000006 110.942 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.9 t -53.15 -52.14 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.040000000000006 111.081 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 99.8 t -55.2 -36.65 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 71.049999999999997 111.165 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.15 -52.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 72.239999999999995 111.072 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.34 -40.01 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.019999999999996 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.35 -55.36 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.510000000000005 110.851 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -56.9 -53.08 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.7 -50.48 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 75.230000000000004 110.941 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -51.54 57.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.040000000000006 112.453 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.41 82.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 73.109999999999999 112.524 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.0 m -73.83 -51.62 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 72.109999999999999 111.136 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -55.79 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 71.400000000000006 110.866 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.12 -46.69 82.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -60.17 -49.08 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 73.040000000000006 110.923 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -52.58 64.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 73.239999999999995 110.921 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.61 -54.01 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.540000000000006 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 72.239999999999995 112.526 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 73.420000000000002 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.66 -52.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.230000000000004 111.085 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.99 -40.72 85.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 54.9 mtm -71.16 -55.41 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 75.409999999999997 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 23.8 mtm -57.03 -53.42 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 74.129999999999995 110.859 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.0 -50.36 69.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 110.881 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.4 58.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 62.119999999999997 112.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.79 -33.3 85.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 51.200000000000003 112.507 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -73.46 -53.88 9.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 74.310000000000002 111.184 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -55.06 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 70.019999999999996 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.36 -51.27 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 63.520000000000003 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.67 -45.79 81.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 75.120000000000005 110.91 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 71.200000000000003 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.87 0.367 . . . . 75.299999999999997 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.27 -11.9 36.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.854 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.93 -32.86 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 74.540000000000006 110.89 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.49 -55.99 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.149 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.77 -49.3 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 73.400000000000006 110.888 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.9 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 75.530000000000001 111.071 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.72 -43.4 98.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.200000000000003 110.959 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.4 m -60.38 -42.51 96.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 62.210000000000001 111.135 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.17 -52.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 72.030000000000001 111.075 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.94 -44.47 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 111.13 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.62 93.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 111.087 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -58.88 -52.13 55.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 52.039999999999999 112.514 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 36.5 mt -58.95 -45.7 89.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.328 . . . . 75.219999999999999 110.858 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.5 t -58.93 -53.19 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 75.319999999999993 111.052 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 87.0 t -54.88 -32.91 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.329999999999998 111.145 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 24.0 mt -66.9 -52.99 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 111.097 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.65 -40.04 82.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.319999999999993 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 55.0 mtm -72.14 -55.41 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 73.439999999999998 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 23.6 mtm -56.98 -53.51 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 70.319999999999993 110.888 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.8 mt -54.49 -50.55 67.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 73.129999999999995 110.922 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.44 58.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 51.130000000000003 112.476 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.86 -32.65 83.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 74.420000000000002 112.457 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.6 m -73.94 -54.52 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.319999999999993 111.164 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -56.04 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.897 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.55 -50.8 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 75.109999999999999 110.875 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.57 -46.51 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 71.340000000000003 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 73.349999999999994 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -53.71 -32.79 53.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 72.439999999999998 110.911 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.666 -0.778 . . . . 75.140000000000001 112.511 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 73.019999999999996 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.03 -52.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.329999999999998 111.141 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.04 -40.61 85.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.200000000000003 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.9 mtm -71.17 -54.88 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 75.5 110.861 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.7 -53.08 62.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 75.120000000000005 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.08 -48.95 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.0 -52.54 51.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 62.420000000000002 112.46 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.86 79.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 62.439999999999998 112.533 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 48.1 m -73.32 -52.39 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 73.230000000000004 111.124 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -55.0 36.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.87 -49.09 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 75.409999999999997 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -58.27 -47.88 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.319999999999993 110.881 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 74.120000000000005 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.96 -14.32 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.450000000000003 110.836 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.84 -32.37 69.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 110.927 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.5 m -60.01 -55.97 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 111.142 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.65 -49.09 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.540000000000006 110.944 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.66 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.450000000000003 111.071 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 82.6 m -60.35 -44.37 95.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 75.030000000000001 111.19 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.56 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 72.420000000000002 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.89 -50.56 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 111.064 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.23 97.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.093 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 73.299999999999997 112.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.63 -51.26 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 73.450000000000003 110.913 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.4 t -52.96 -51.99 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.239999999999995 111.136 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 98.3 t -55.61 -36.28 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 62.549999999999997 111.105 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.1 mt -67.31 -52.79 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 111.153 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.71 -39.76 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 63.350000000000001 110.929 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.0 mtm -72.39 -54.71 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.69 -53.24 60.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 75.510000000000005 110.851 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.52 -49.35 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.909 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.34 52.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 73.349999999999994 112.456 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.39 -31.3 78.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 75.120000000000005 112.518 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 48.7 m -74.06 -52.45 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 74.319999999999993 111.205 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.77 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.867 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.21 -48.63 78.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.040000000000006 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -58.27 -48.06 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.9 -52.17 66.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 75.120000000000005 110.916 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.37 -30.68 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.319999999999993 110.925 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 65.329999999999998 112.512 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 74.5 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.049999999999997 111.189 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.72 -40.82 84.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 110.935 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 49.1 mtm -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.340000000000003 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.27 -53.23 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.230000000000004 110.821 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.0 -49.27 71.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 74.140000000000001 110.922 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.04 54.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 64.120000000000005 112.409 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.07 79.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.761 -0.733 . . . . 75.219999999999999 112.449 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.4 m -73.31 -50.77 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 74.299999999999997 111.129 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.883 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.92 -45.73 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 74.310000000000002 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -62.22 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.019999999999996 110.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 72.439999999999998 110.96 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.754 0.311 . . . . 74.430000000000007 111.149 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.98 -12.23 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.030000000000001 110.825 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.8 -32.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 64.420000000000002 110.891 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.97 -56.17 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 72.319999999999993 111.145 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 67.8 mtm -62.61 -48.7 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 110.865 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.74 84.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.25 -43.42 98.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 75.200000000000003 110.9 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.3 m -60.44 -44.75 95.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.43 -50.45 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.439999999999998 111.084 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -50.94 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 111.114 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.14 96.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 60.210000000000001 111.116 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.73 -51.73 46.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 73.230000000000004 112.539 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.65 -51.48 69.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 75.230000000000004 110.988 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.4 t -52.7 -52.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.409999999999997 111.043 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 63.0 t -55.55 -36.19 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.329999999999998 111.068 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.26 -52.91 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 111.096 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.44 -39.94 81.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.934 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.8 mtm -72.45 -55.1 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 73.239999999999995 110.838 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.7 mtm -57.23 -53.16 61.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.409999999999997 110.872 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.65 -49.76 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.893 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.68 -51.61 57.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 71.140000000000001 112.489 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.83 -31.73 79.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 74.510000000000005 112.512 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.8 -50.72 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 71.109999999999999 111.112 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -55.83 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.66 -45.46 85.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 74.519999999999996 110.848 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.92 -46.16 90.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 73.209999999999994 110.972 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -53.21 60.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 71.030000000000001 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -53.11 -53.35 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 70.329999999999998 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 73.25 112.519 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.827 0.346 . . . . 73.230000000000004 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.46 -46.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 111.147 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.91 -42.56 99.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.510000000000005 110.957 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 48.4 mtm -71.24 -45.98 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 74.239999999999995 110.798 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.07 -55.25 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 74.329999999999998 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.87 -46.05 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.420000000000002 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.15 -53.57 43.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 64.329999999999998 112.484 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.55 76.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 52.119999999999997 112.471 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.4 m -73.28 -53.86 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 74.329999999999998 111.137 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -55.03 31.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.42 . . . . 72.450000000000003 110.845 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.89 -50.39 73.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 74.010000000000005 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -57.05 -46.05 82.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.200000000000003 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 73.409999999999997 110.939 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.833 0.349 . . . . 74.040000000000006 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -12.48 37.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.540000000000006 110.82 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.86 -32.57 69.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.219999999999999 110.924 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -62.51 -48.99 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.99 -41.71 83.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 65.099999999999994 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.38 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 74.140000000000001 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.9 m -60.51 -44.25 96.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 74.140000000000001 111.141 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.11 -50.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.319999999999993 111.088 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.82 -50.07 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 73.519999999999996 111.164 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.0 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.519999999999996 111.044 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.89 -51.6 54.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.798 -0.715 . . . . 64.400000000000006 112.464 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.29 -50.49 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 74.140000000000001 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.45 -49.84 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.55 -37.32 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.219999999999999 111.126 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 40.0 mt -66.73 -46.61 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 75.329999999999998 111.088 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -62.7 -41.83 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.3 mtm -72.22 -45.78 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 73.200000000000003 110.943 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.6 mtm -65.17 -55.59 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.887 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -53.96 -46.47 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.946 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.34 -53.73 41.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 71.439999999999998 112.483 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.59 75.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 71.299999999999997 112.515 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.19 -54.61 7.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 74.420000000000002 111.132 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.87 -55.49 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.901 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.23 -50.09 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 74.140000000000001 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.83 -46.3 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.935 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -52.42 64.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.53 -31.74 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 71.230000000000004 110.809 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 55.520000000000003 112.48 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 75.120000000000005 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.08 -52.71 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 74.239999999999995 111.126 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.84 -40.62 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -71.17 -55.1 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 110.894 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.45 -52.92 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 73.239999999999995 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -54.97 -50.55 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.439999999999998 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.88 55.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 74.109999999999999 112.454 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.19 85.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 71.129999999999995 112.494 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -73.39 -52.17 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 74.430000000000007 111.152 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -55.07 38.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 74.319999999999993 110.85 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.16 -47.38 81.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.340000000000003 110.934 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.17 -49.59 77.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 74.549999999999997 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.877 0.37 . . . . 71.319999999999993 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -64.03 -12.4 38.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 110.885 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.8 mt -70.77 -32.41 69.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.867 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.95 -56.22 24.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 73.409999999999997 111.11 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -62.59 -48.79 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 74.409999999999997 110.797 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.85 84.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 64.129999999999995 111.101 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.11 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 72.239999999999995 110.908 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.24 -44.7 95.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 111.097 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.54 -50.38 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 73.109999999999999 111.093 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.91 -50.9 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 73.129999999999995 111.183 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.88 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.063 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.04 -51.78 51.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 75.030000000000001 112.449 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.81 -50.95 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 72.299999999999997 110.908 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.19 -52.39 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 73.219999999999999 111.104 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 96.9 t -55.25 -36.4 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.329999999999998 111.104 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.34 -52.96 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 71.409999999999997 111.125 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.57 -39.61 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 74.099999999999994 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.3 mtm -72.6 -54.93 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 64.200000000000003 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.49 -52.89 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 72.010000000000005 110.861 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.65 -50.96 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.409999999999997 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.02 -51.56 57.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 73.409999999999997 112.443 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.29 -33.0 85.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.783 -0.723 . . . . 63.229999999999997 112.44 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.72 -52.27 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 74.549999999999997 111.151 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -55.85 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 74.349999999999994 110.769 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.82 -46.85 81.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.010000000000005 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -59.89 -49.76 76.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.209999999999994 110.913 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -52.27 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 75.299999999999997 110.879 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.49 -53.91 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.209999999999994 110.9 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 74.430000000000007 112.493 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 72.420000000000002 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.05 -52.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.299999999999997 111.202 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.73 -40.72 84.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.18 -55.53 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.150000000000006 110.859 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.9 mtm -56.93 -53.12 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 75.329999999999998 110.906 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.13 -49.68 71.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 110.932 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.07 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 65.439999999999998 112.509 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.28 -32.23 81.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.815 -0.707 . . . . 72.219999999999999 112.455 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.5 m -73.49 -51.56 16.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 73.329999999999998 111.135 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -54.89 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.7 -47.27 82.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 71.530000000000001 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -60.17 -48.84 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.120000000000005 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 75.150000000000006 110.927 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.872 0.367 . . . . 73.120000000000005 111.156 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.52 -12.81 35.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 110.803 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.85 -32.25 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 71.5 110.904 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.0 -55.95 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 73.400000000000006 111.131 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.9 -48.94 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 75.319999999999993 110.925 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.97 83.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 111.094 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.11 -43.07 99.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.955 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 86.9 m -60.92 -43.71 98.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 111.146 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.52 -51.27 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.319999999999993 111.109 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.07 -48.32 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.5 99.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 111.06 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.38 56.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.766 -0.731 . . . . 73.400000000000006 112.423 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.15 -49.84 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 73.340000000000003 110.951 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.69 -51.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.040000000000006 111.107 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 86.9 t -55.36 -36.28 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 73.209999999999994 111.137 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.41 -53.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.064 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.4 -39.86 80.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 110.883 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.9 mtm -72.39 -55.39 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.409999999999997 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.5 mtm -56.92 -53.18 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 73.439999999999998 110.872 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -54.71 -50.12 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.78 56.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 71.319999999999993 112.489 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 74.329999999999998 112.459 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.4 m -73.91 -51.68 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 73.019999999999996 111.174 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.29 -55.64 30.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.400000000000006 110.885 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.53 -46.71 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.030000000000001 110.869 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.89 -49.05 79.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 62.109999999999999 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -52.53 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.299999999999997 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -52.45 -53.92 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 61.32 110.855 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 75.099999999999994 112.501 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.758 0.313 . . . . 73.519999999999996 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.73 -52.76 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 111.152 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.72 -41.01 85.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 74.209999999999994 110.917 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.6 mtm -71.07 -55.53 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.400000000000006 110.838 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.6 mtm -56.81 -53.74 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.319999999999993 110.809 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.9 mt -54.91 -49.25 71.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 75.049999999999997 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.73 50.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 75.109999999999999 112.499 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.98 -32.24 81.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 74.140000000000001 112.541 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.37 -53.82 9.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 61.299999999999997 111.083 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -55.13 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.889 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.6 mt -56.53 -48.98 76.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -58.97 -49.26 78.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.129999999999995 110.959 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 70.439999999999998 110.947 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.836 0.351 . . . . 74.329999999999998 111.146 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -60.23 -14.94 20.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 74.140000000000001 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.71 -33.01 71.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.872 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.8 m -59.62 -55.72 30.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 111.199 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.41 -49.43 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.120000000000005 110.985 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.3 82.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 53.5 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.07 -44.09 97.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.120000000000005 110.937 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 84.9 m -59.78 -42.88 94.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 111.142 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.44 -52.5 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 74.129999999999995 111.173 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 62.3 mt -60.01 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.25 111.194 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.5 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.510000000000005 111.07 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.79 -51.94 55.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 74.519999999999996 112.467 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 26.4 mt -59.26 -45.13 92.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.310000000000002 110.919 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 60.1 t -59.22 -53.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 111.123 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.06 -32.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 72.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 24.6 mt -66.96 -52.89 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 111.153 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.56 -40.51 83.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.010000000000005 110.893 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.77 -55.47 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.5 mtm -56.8 -53.8 53.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.549999999999997 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.65 -49.37 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 75.239999999999995 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.58 51.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 74.349999999999994 112.489 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.91 -31.99 81.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 74.040000000000006 112.493 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.3 m -73.68 -53.92 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 73.519999999999996 111.073 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -55.93 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.430000000000007 110.823 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.16 -48.37 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 71.310000000000002 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -58.68 -49.39 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.230000000000004 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -52.6 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 73.239999999999995 110.877 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -52.14 -53.99 36.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 74.450000000000003 110.84 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 73.030000000000001 112.439 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.782 0.325 . . . . 63.530000000000001 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.03 -52.75 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.5 111.164 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.87 -40.68 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.904 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.1 mtm -71.22 -55.02 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 63.140000000000001 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.5 -53.12 61.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.836 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -55.0 -49.23 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.32 53.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 71.019999999999996 112.486 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.86 79.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 73.409999999999997 112.474 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.4 m -73.46 -51.99 15.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 74.340000000000003 111.134 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -54.95 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.875 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.87 -48.5 79.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -58.87 -48.28 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.891 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.906 0.384 . . . . 74.430000000000007 111.129 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -11.64 37.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 110.903 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.8 mt -70.74 -32.39 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 110.925 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.0 m -60.03 -56.35 22.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 71.519999999999996 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -62.44 -48.71 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 73.230000000000004 110.898 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.88 84.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 64.329999999999998 111.159 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 73.200000000000003 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.6 m -60.64 -44.51 96.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 111.116 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.78 -50.62 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 111.164 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.17 -50.31 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.129999999999995 111.133 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.41 98.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.530000000000001 111.088 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.73 -51.76 50.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 73.200000000000003 112.477 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.59 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 74.219999999999999 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.99 -51.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 75.409999999999997 111.121 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 97.1 t -55.54 -36.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 75.409999999999997 111.159 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.3 -52.83 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.200000000000003 111.151 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.67 -39.77 81.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.230000000000004 110.859 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -72.45 -54.98 7.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 110.829 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.41 -53.14 61.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 74.340000000000003 110.952 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.65 -49.61 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 74.129999999999995 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.07 54.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 63.020000000000003 112.515 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.55 79.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 74.299999999999997 112.509 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.0 m -74.04 -52.14 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 74.420000000000002 111.157 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -55.7 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 74.340000000000003 110.874 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.8 mt -57.45 -47.88 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -58.72 -48.63 80.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.349999999999994 110.977 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -52.4 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 74.349999999999994 110.888 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -54.83 -32.16 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.109999999999999 110.919 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 52.43 112.55 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 73.319999999999993 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -179.26 -54.58 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.698 -0.763 . . . . 70.349999999999994 112.496 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.4 -20.09 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.030000000000001 110.882 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 84.8 m -77.32 -31.37 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 74.230000000000004 111.082 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -63.87 -13.53 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 73.019999999999996 110.865 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 9.8 mt -70.21 -32.38 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.430000000000007 110.857 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.29 -54.07 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 71.109999999999999 111.134 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 16.7 mmm -63.81 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.450000000000003 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.58 84.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.15 -43.31 99.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.894 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 81.1 m -60.9 -44.57 96.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 71.129999999999995 111.089 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.77 -50.39 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 71.420000000000002 111.183 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.34 -50.37 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 111.161 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.4 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 60.200000000000003 111.048 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.94 -51.03 56.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 75.25 112.516 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.97 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 75.209999999999994 110.881 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 55.0 t -53.11 -52.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.340000000000003 111.092 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.6 t -55.46 -36.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 71.420000000000002 111.129 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.15 -52.65 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 111.123 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.67 -40.75 84.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.969 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.3 mtm -71.21 -55.27 8.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 74.299999999999997 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.22 -52.88 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 64.430000000000007 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.08 -50.45 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.05 -51.7 56.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 60.109999999999999 112.457 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.51 -33.16 85.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.430000000000007 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.34 -51.94 15.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 70.049999999999997 111.174 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -55.13 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.34 -47.46 81.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.150000000000006 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.14 -49.07 79.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -52.13 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 74.319999999999993 110.898 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.18 -53.67 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 71.439999999999998 110.843 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.17 99.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 63.200000000000003 112.515 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -54.28 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 71.340000000000003 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -67.27 -25.98 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -46.28 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 110.777 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.2 130.28 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 71.450000000000003 110.899 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -84.78 -29.86 25.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.030000000000001 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.19 165.88 24.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 75.400000000000006 110.905 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 158.15 31.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 110.869 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 74.200000000000003 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 138.21 97.92 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 50.539999999999999 112.472 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 92.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 75.299999999999997 110.942 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.4 m -129.06 -50.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 111.14 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -63.83 -12.48 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.010000000000005 110.837 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.59 -32.37 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.319999999999993 110.962 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -59.93 -56.21 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 17.2 mmm -62.53 -48.82 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.9 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.7 84.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.519999999999996 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.22 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 72.400000000000006 110.915 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 71.8 m -60.61 -44.66 96.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 111.168 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.66 -50.49 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 53.539999999999999 111.161 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.21 -50.57 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 73.540000000000006 111.187 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.29 97.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 61.119999999999997 111.09 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.8 50.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 74.129999999999995 112.459 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.59 -51.19 70.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 65.209999999999994 110.897 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.11 -52.07 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 75.430000000000007 111.142 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.37 -36.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 72.519999999999996 111.104 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.39 -52.78 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.108 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.39 -39.92 80.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.540000000000006 110.898 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.41 -55.15 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 73.040000000000006 110.949 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.12 -53.05 62.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 55.329999999999998 110.919 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.52 -50.88 66.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 75.019999999999996 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.44 58.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 73.150000000000006 112.497 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.57 -32.83 84.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.642 -0.79 . . . . 73.25 112.439 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.1 m -73.74 -52.01 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 54.219999999999999 111.142 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -55.75 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.200000000000003 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.96 -46.91 81.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -59.85 -49.42 77.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.944 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -52.3 65.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.972 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -52.13 -53.82 38.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 72.140000000000001 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.75 99.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.75 -0.738 . . . . 73.400000000000006 112.471 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -61.36 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 70.530000000000001 110.871 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.099999999999994 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -56.73 -27.97 60.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -52.39 138.17 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -53.4 164.85 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.219999999999999 110.782 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -90.86 159.27 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 74.420000000000002 110.861 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -126.65 45.22 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 74.219999999999999 110.838 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.310000000000002 110.839 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 12.0 mtm . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.794 0.331 . . . . 71.239999999999995 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 129.28 99.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 75.430000000000007 112.493 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -117.46 -20.54 9.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.150000000000006 110.873 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 87.3 m -76.95 -31.39 56.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 111.087 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -63.7 -13.72 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 74.420000000000002 110.852 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.23 -32.4 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 62.399999999999999 110.921 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.26 -54.08 50.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 111.127 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 15.5 mmt -63.79 -49.22 73.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 70.219999999999999 110.907 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 61.32 111.084 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.68 -43.75 98.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.924 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 89.2 m -60.4 -43.51 96.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 75.450000000000003 111.104 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.44 -52.33 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.340000000000003 111.146 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.99 -45.91 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 70.319999999999993 111.15 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.05 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 73.439999999999998 111.077 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.41 -51.11 60.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 75.450000000000003 112.459 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 24.4 mt -59.55 -44.74 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 74.150000000000006 110.879 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 57.0 t -59.48 -53.54 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 74.549999999999997 111.102 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.13 -32.6 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 111.116 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.5 mt -66.7 -52.64 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 111.119 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.59 -41.24 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.849 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.07 -55.55 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 64.420000000000002 110.866 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -56.65 -53.73 54.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.5 mt -54.98 -49.28 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 64.150000000000006 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.87 -52.32 53.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 73.310000000000002 112.548 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.11 80.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 74.409999999999997 112.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 51.7 m -73.47 -53.81 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 75.219999999999999 111.139 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.6 -55.08 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.13 -50.58 72.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 72.349999999999994 110.915 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -57.6 -46.72 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.219999999999999 110.916 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -52.15 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 74.239999999999995 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -52.23 -37.06 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.299999999999997 110.881 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -78.11 -57.59 3.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 75.409999999999997 112.45 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -27.22 18.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.928 0.394 . . . . 74.239999999999995 110.886 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -25.81 17.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 75.510000000000005 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.863 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -108.6 150.01 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.88 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -114.02 113.07 24.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 64.219999999999999 110.918 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -89.62 130.88 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.844 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -69.69 -54.82 12.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 12.6 m170 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.120000000000005 110.949 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.877 0.37 . . . . 73.349999999999994 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 128.1 83.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 70.519999999999996 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.24 92.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 74.439999999999998 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.6 m -130.35 -50.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 73.400000000000006 111.17 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.81 -12.57 36.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 73.030000000000001 110.82 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.61 -32.34 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.871 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.0 -56.18 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.25 111.144 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -62.52 -48.96 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.46 83.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 73.510000000000005 111.104 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.76 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.94 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.2 m -60.32 -43.56 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 64.430000000000007 111.105 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.57 -52.13 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 75.430000000000007 111.202 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.0 mt -59.01 -46.17 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.510000000000005 111.196 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.95 93.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 75.099999999999994 111.086 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.1 -52.12 54.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.310000000000002 112.466 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 23.5 mt -59.02 -44.71 91.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 73.439999999999998 110.882 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.43 -53.71 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.340000000000003 111.13 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 91.9 t -55.04 -32.31 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 111.195 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.91 -52.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 75.340000000000003 111.13 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.47 -40.6 83.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 70.030000000000001 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.8 mtm -71.79 -55.52 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 74.140000000000001 110.952 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.61 -53.85 52.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.400000000000006 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.64 -49.5 70.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 73.120000000000005 110.866 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.99 55.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 61.530000000000001 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.42 -31.86 80.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 73.5 112.447 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.5 m -73.93 -54.11 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 65.310000000000002 111.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -56.1 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.853 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.65 -50.06 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 74.430000000000007 110.907 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.17 -47.03 82.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.129999999999995 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -52.97 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 73.129999999999995 110.944 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -52.55 -37.78 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.3 -35.39 37.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 65.450000000000003 112.482 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -60.08 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 75.409999999999997 110.891 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -120.59 69.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 75.400000000000006 110.888 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -70.27 -42.76 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.019999999999996 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -54.66 -50.19 68.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.819 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 63.340000000000003 110.847 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 -169.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 110.874 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.24 89.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.140000000000001 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.835 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.756 0.312 . . . . 70.450000000000003 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 92.31 101.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 55.140000000000001 112.478 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -117.56 -20.19 9.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 72.200000000000003 110.893 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 95.7 m -77.36 -31.15 54.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.120000000000005 111.185 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.91 -13.69 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 75.530000000000001 110.798 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 9.5 mt -70.11 -32.38 70.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 64.209999999999994 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.24 -54.08 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 71.209999999999994 111.153 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -63.71 -49.27 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.81 84.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.98 -43.44 98.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.922 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 78.1 m -60.62 -44.77 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.6 -50.66 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 75.150000000000006 111.16 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.2 -50.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 74.040000000000006 111.112 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.31 98.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 111.054 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.15 -51.1 56.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.812 -0.708 . . . . 61.350000000000001 112.472 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.81 -50.94 71.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 53.9 t -53.14 -51.95 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 111.081 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.66 -36.4 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 111.182 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.14 -52.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.087 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.93 -40.72 85.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.2 mtm -71.09 -54.91 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 73.439999999999998 110.899 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.63 -53.16 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.540000000000006 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.02 -49.03 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.329999999999998 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.38 52.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 54.210000000000001 112.434 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.77 79.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 75.129999999999995 112.443 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.31 -51.05 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 72.239999999999995 111.147 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -54.98 40.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 74.519999999999996 110.886 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.96 -46.54 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.7 -49.05 79.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -52.15 65.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.865 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -51.99 -53.62 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 73.140000000000001 110.965 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.11 99.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 73.439999999999998 112.517 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.1 35.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.335 . . . . 74.239999999999995 110.917 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -67.04 -39.44 86.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.0 -32.73 55.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 110.816 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 174.0 9.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.288 -0.415 . . . . 71.349999999999994 110.789 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -91.96 123.39 35.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.209999999999994 110.835 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -132.72 130.27 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.209999999999994 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.14 -29.75 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.109999999999999 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.824 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 34.9 ttm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 74.530000000000001 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 173.17 85.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 74.409999999999997 112.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.61 92.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.374 . . . . 65.430000000000007 110.847 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.7 m -129.49 -50.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.099 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.87 -12.35 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.450000000000003 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.72 -32.3 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 71.530000000000001 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -56.21 24.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 111.12 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -62.58 -48.82 77.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 74.120000000000005 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.96 84.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.329999999999998 111.138 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.13 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.92 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 72.3 m -60.42 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.66 -50.58 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 74.150000000000006 111.149 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.11 -50.43 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 71.040000000000006 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.329999999999998 111.121 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.06 -51.7 52.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 73.230000000000004 112.47 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.6 -50.9 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 72.430000000000007 110.864 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.5 t -53.16 -51.95 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.49 -36.42 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 111.119 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.31 -52.76 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 75.219999999999999 111.124 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.76 -39.85 82.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 44.5 mtm -72.28 -54.82 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 73.219999999999999 110.832 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.67 -53.27 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.918 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.26 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 74.140000000000001 112.518 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.61 -31.38 78.39 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.809 -0.71 . . . . 62.130000000000003 112.451 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.85 -51.2 17.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 73.25 111.095 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.68 -55.61 31.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.58 -46.11 84.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 110.932 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.43 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -52.46 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.209999999999994 110.946 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -52.2 -53.61 41.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 65.200000000000003 110.851 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.33 99.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 63.240000000000002 112.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.540000000000006 110.934 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -117.94 68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.340000000000003 110.901 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -51.84 -37.97 54.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.909 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -92.45 99.79 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 74.109999999999999 110.923 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -149.04 -64.29 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.219999999999999 110.828 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 60.78 35.44 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 75.239999999999995 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 71.4 -70.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.400000000000006 110.819 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 73.120000000000005 110.862 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 27.0 mtt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 75.540000000000006 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.51 144.68 8.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.040000000000006 112.51 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -123.65 -33.92 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 75.540000000000006 110.93 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 91.4 m -75.14 -34.18 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 111.22 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -59.2 -17.5 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 63.350000000000001 110.828 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.41 -33.0 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 75.549999999999997 110.993 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.83 -53.98 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 73.129999999999995 111.167 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -63.59 -49.96 71.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.856 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.44 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.28 -43.82 98.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.209999999999994 110.903 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 89.9 m -60.37 -44.39 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 75.239999999999995 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.7 -50.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 111.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.05 -50.65 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 111.098 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.48 -43.35 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 71.409999999999997 111.139 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.14 55.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 55.140000000000001 112.501 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.87 -50.83 72.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 74.209999999999994 110.906 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 55.8 t -53.24 -52.38 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 111.194 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.1 t -55.2 -36.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 65.209999999999994 111.141 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.19 -52.64 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.530000000000001 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 74.109999999999999 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.39 -52.9 63.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.877 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.06 -50.52 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 75.519999999999996 110.953 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.57 57.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 62.450000000000003 112.455 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.47 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 65.409999999999997 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.2 m -73.49 -53.81 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 74.409999999999997 111.148 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.14 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 73.519999999999996 110.903 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.46 -51.27 70.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 110.973 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.37 -46.2 80.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.219999999999999 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -51.43 69.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 73.439999999999998 110.905 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -53.59 -32.61 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.040000000000006 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.81 -57.84 2.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 75.219999999999999 112.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -30.97 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 73.299999999999997 110.894 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -59.75 -66.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.903 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -54.05 -46.08 71.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.340000000000003 110.81 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -62.04 142.2 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.834 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -101.87 101.7 12.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 75.430000000000007 110.823 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -40.83 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.120000000000005 110.852 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -59.35 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 110.935 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.811 0.339 . . . . 74.019999999999996 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -169.01 94.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 73.420000000000002 112.528 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.29 93.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 64.219999999999999 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 27.8 p -135.52 -58.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 75.510000000000005 111.192 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -57.77 -16.02 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.329999999999998 110.91 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 15.6 mt -68.62 -33.04 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.89 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.55 -55.69 31.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.224 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -62.68 -49.59 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.350000000000001 110.847 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 74.420000000000002 111.059 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.8 mt -61.35 -43.71 98.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.91 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.5 m -60.26 -44.36 95.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 75.129999999999995 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.66 -50.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 65.230000000000004 111.06 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.86 -50.89 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 75.209999999999994 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.18 97.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.043 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 71.040000000000006 112.475 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.59 -51.03 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 74.519999999999996 110.909 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 55.7 t -53.34 -52.31 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 75.010000000000005 111.14 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 97.3 t -55.11 -36.41 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 111.094 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.37 -52.88 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 111.096 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.65 -39.7 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.450000000000003 110.841 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -72.47 -54.98 7.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 73.310000000000002 110.846 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.5 -52.97 63.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 74.450000000000003 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.6 -50.87 67.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.17 -51.32 59.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 63.299999999999997 112.452 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.18 -32.97 85.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 73.140000000000001 112.529 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -74.14 -54.13 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.77 0.319 . . . . 73.430000000000007 111.12 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.16 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 74.420000000000002 110.889 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -56.64 -50.97 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 75.510000000000005 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.21 -46.7 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 53.020000000000003 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -51.44 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 74.209999999999994 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -53.49 -32.13 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 71.140000000000001 110.897 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.83 -57.91 2.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 74.109999999999999 112.44 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -31.01 17.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.335 . . . . 74.310000000000002 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -60.52 -50.63 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -63.72 -40.17 96.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 74.129999999999995 110.855 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -81.17 70.7 8.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 110.882 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -61.88 149.36 40.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 70.120000000000005 110.845 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -126.29 161.9 26.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 110.775 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -110.55 -177.57 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 73.099999999999994 110.814 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 29.3 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 73.299999999999997 110.906 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 13.7 mmt . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.819 0.342 . . . . 63.299999999999997 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -132.98 24.81 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 71.209999999999994 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 62.14 15.23 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 74.239999999999995 110.844 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m -104.31 -34.01 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.219999999999999 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -64.4 -13.01 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.150000000000006 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.8 mt -70.34 -32.42 70.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.450000000000003 110.93 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.29 -54.01 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.141 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.74 -49.11 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 74.409999999999997 110.833 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 62.119999999999997 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.4 mt -61.03 -43.75 98.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.901 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.1 m -60.3 -44.51 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.019999999999996 111.111 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.4 t -59.81 -50.99 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.14 -50.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.040000000000006 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.25 97.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 111.073 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.05 58.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 74.109999999999999 112.46 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.88 -50.42 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.815 0.34 . . . . 73.329999999999998 110.896 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.53 -52.07 36.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.147 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.55 -36.43 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.120000000000005 111.12 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 111.133 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.94 -40.67 85.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.8 mtm -71.13 -54.96 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.915 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.65 -53.02 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 72.439999999999998 110.884 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.05 -49.1 72.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 75.019999999999996 110.931 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.5 52.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 52.140000000000001 112.479 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.81 79.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 72.120000000000005 112.482 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.44 -51.06 18.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 65.230000000000004 111.089 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -54.84 42.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 75.219999999999999 110.86 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.96 -46.5 85.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.926 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -52.0 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -51.8 -53.71 36.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 110.809 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.05 99.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 61.43 112.554 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 mmm-85 -52.0 -57.25 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 73.510000000000005 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -64.43 -35.33 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 73.239999999999995 110.833 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.18 -39.73 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.430000000000007 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -89.52 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.140000000000001 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 4.7 t60 52.07 43.11 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 110.848 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -85.93 -26.09 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.510000000000005 110.912 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -75.51 -54.71 6.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 73.450000000000003 110.825 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 64.049999999999997 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 4.0 mmm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.771 0.319 . . . . 74.129999999999995 110.965 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -165.03 -92.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 74.519999999999996 112.498 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.71 91.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 74.140000000000001 110.873 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 90.7 m -132.44 -50.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 73.349999999999994 111.192 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -64.28 -12.11 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.816 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.61 -32.46 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 73.099999999999994 110.91 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.94 -56.25 24.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 74.010000000000005 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -62.54 -48.75 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.310000000000002 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.86 84.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 74.510000000000005 111.105 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.4 mt -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 75.230000000000004 110.942 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 77.0 m -60.27 -44.61 95.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.69 -50.96 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.181 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.15 -50.24 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 75.239999999999995 111.123 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.24 97.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 71.439999999999998 111.102 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.8 -51.92 52.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 71.120000000000005 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.49 -50.4 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 72.299999999999997 110.89 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.55 -52.14 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.540000000000006 111.088 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 94.1 t -55.55 -36.15 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 111.148 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.35 -52.84 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.150000000000006 111.114 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.7 -39.74 81.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 110.928 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.6 mtm -72.33 -54.97 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.81 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.55 -53.22 60.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 75.120000000000005 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.48 -49.46 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.230000000000004 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.38 52.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 72.219999999999999 112.469 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.38 78.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 72.430000000000007 112.481 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.5 m -73.87 -51.22 16.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 71.209999999999994 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -55.57 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 74.239999999999995 110.897 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.44 -46.19 83.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 74.340000000000003 110.945 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.38 -49.6 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -52.22 65.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.872 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -51.84 -53.62 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 64.510000000000005 110.79 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.12 -40.07 98.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 64.420000000000002 112.493 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -53.1 -58.18 7.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 74.25 110.847 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -69.07 -32.95 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.837 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -85.62 56.26 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 61.210000000000001 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -175.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 63.350000000000001 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -117.61 49.72 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 74.099999999999994 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 44.5 m80 57.21 82.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.439999999999998 110.896 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -87.74 135.56 33.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 74.540000000000006 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.349999999999994 110.832 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.839 0.352 . . . . 74.409999999999997 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.14 139.75 7.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 64.230000000000004 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.95 -14.43 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 75.420000000000002 110.888 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 92.9 m -77.12 -30.93 55.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 74.5 111.095 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -13.46 46.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.540000000000006 110.843 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.45 -32.6 70.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 74.239999999999995 110.952 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.1 -54.18 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 75.540000000000006 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -63.61 -49.21 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 110.894 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.81 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 63.32 111.086 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.94 -43.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 65.109999999999999 110.948 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.37 -44.68 95.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 64.030000000000001 111.189 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.424 . . . . 64.420000000000002 111.157 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.15 -50.02 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.549999999999997 111.128 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 75.450000000000003 111.07 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.98 57.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 75.140000000000001 112.41 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.86 -50.94 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.823 0.344 . . . . 72.120000000000005 110.941 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 53.8 t -53.0 -52.03 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 111.101 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.48 -36.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 111.115 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.03 -52.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.57 -40.93 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 71.299999999999997 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.1 mtm -71.13 -55.41 8.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.949 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -56.96 -52.91 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.219999999999999 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.19 -50.11 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.903 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.28 59.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 65.409999999999997 112.519 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.55 -32.72 82.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 73.040000000000006 112.483 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.5 m -73.39 -51.6 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.540000000000006 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -54.92 38.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.519999999999996 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.92 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.35 -47.71 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -52.15 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 72.530000000000001 110.883 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -55.27 -32.46 62.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -85.07 -22.91 51.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 74.310000000000002 112.475 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -73.3 -46.94 46.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 64.510000000000005 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.71 -40.49 95.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.310000000000002 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -60.96 -33.99 74.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.174 -0.466 . . . . 75.5 110.808 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -64.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 74.209999999999994 110.825 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 121.71 35.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.120000000000005 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -76.23 110.97 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 157.98 42.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.834 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 4.2 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 110.905 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.767 0.317 . . . . 65.099999999999994 110.881 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -131.86 -95.61 0.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 74.5 112.416 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 54.75 91.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 73.439999999999998 110.83 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 97.6 m -141.27 -50.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 61.140000000000001 111.105 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -12.48 36.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 73.150000000000006 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.3 mt -70.76 -32.54 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 64.540000000000006 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.87 -56.25 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 72.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -62.49 -48.95 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 64.120000000000005 110.859 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.02 83.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.109 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.1 mt -61.09 -43.66 98.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.7 m -60.15 -44.73 94.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.5 111.18 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.68 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.01 -50.27 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 73.310000000000002 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.15 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 71.530000000000001 111.135 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.87 -51.9 50.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 72.010000000000005 112.499 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.45 -51.03 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 73.549999999999997 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 52.5 t -53.05 -52.02 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.119 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 95.2 t -55.35 -36.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.430000000000007 111.111 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 36.8 mt -67.23 -52.81 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 111.141 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.33 -40.05 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.34 -55.42 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 70.420000000000002 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -56.74 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.77 -50.44 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.1 60.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.837 -0.697 . . . . 45.329999999999998 112.485 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.2 81.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.664 -0.779 . . . . 74.049999999999997 112.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -74.09 -51.62 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 72.439999999999998 111.198 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -55.83 27.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 110.818 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.5 -47.42 81.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.879 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.31 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.140000000000001 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -52.2 66.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.918 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.27 -31.7 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.07 -57.76 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 60.149999999999999 112.435 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -30.91 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 75.430000000000007 110.893 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -71.8 -42.48 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 75.519999999999996 110.829 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.1 t60 71.14 -68.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 63.109999999999999 110.848 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -99.37 135.12 41.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.150000000000006 110.912 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.44 175.17 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 54.109999999999999 110.842 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -129.6 25.96 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 62.210000000000001 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 42.2 m80 52.53 82.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 74.420000000000002 110.869 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.841 0.353 . . . . 64.239999999999995 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.47 110.54 3.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 74.329999999999998 112.539 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -116.1 -19.61 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 74.340000000000003 110.9 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 70.6 p -86.41 -48.71 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.082 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -55.34 -18.72 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 110.871 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 110.901 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.9 m -59.75 -53.87 52.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 75.030000000000001 111.196 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 10.5 mmt -63.37 -50.13 71.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 55.32 110.845 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.78 82.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.25 111.194 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.71 -43.75 97.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.340000000000003 110.959 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 87.0 m -60.5 -44.63 95.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 73.140000000000001 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.62 -50.3 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 74.230000000000004 111.18 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.24 -50.75 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 111.117 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.46 96.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 111.13 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.76 -51.11 55.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 75.120000000000005 112.478 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.95 -51.09 71.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 71.450000000000003 110.899 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.05 -52.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 111.109 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.9 t -55.49 -36.55 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 111.12 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.11 -52.64 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 111.124 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.61 -40.93 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.17 -55.34 8.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 64.219999999999999 110.854 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.11 -53.0 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.209999999999994 110.909 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -55.06 -50.16 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 75.519999999999996 110.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -51.53 58.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 74.239999999999995 112.509 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.18 -32.81 83.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 53.299999999999997 112.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.45 -52.14 14.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 72.510000000000005 111.179 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.89 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 110.86 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.04 -48.42 80.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -58.92 -47.59 84.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 71.329999999999998 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.62 -52.06 67.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 75.530000000000001 110.966 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -56.24 -30.52 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.239999999999995 110.848 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.21 3.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 73.109999999999999 112.599 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -53.17 -27.62 22.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 75.019999999999996 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -73.0 -41.77 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.040000000000006 110.859 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.89 -33.04 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.831 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 147.88 52.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 75.510000000000005 110.867 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.75 -33.67 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.030000000000001 110.813 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -45.47 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.200000000000003 110.891 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.71 118.96 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 74.329999999999998 110.842 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.872 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.882 0.373 . . . . 75.420000000000002 110.79 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 74.54 30.23 60.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.795 -0.717 . . . . 65.25 112.492 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.47 -23.5 7.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 73.239999999999995 110.838 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 54.7 m -76.3 -36.62 58.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 63.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.93 -19.31 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.834 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.48 -33.6 76.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.450000000000003 110.901 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.7 m -59.54 -55.62 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 75.239999999999995 111.081 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.28 -49.87 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.882 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.99 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 55.229999999999997 111.063 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.94 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.299999999999997 110.91 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 83.6 m -60.41 -44.59 95.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 74.409999999999997 111.108 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.61 -50.21 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 72.340000000000003 111.165 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -50.94 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 61.119999999999997 111.083 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.28 97.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.439999999999998 111.111 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.61 -51.79 49.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 63.030000000000001 112.447 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.74 -51.18 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 73.439999999999998 110.91 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.0 t -52.94 -52.34 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 60.539999999999999 111.111 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 94.9 t -55.33 -36.39 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 73.040000000000006 111.131 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.31 -52.8 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 111.165 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.41 -39.93 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.5 mtm -72.44 -55.22 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 75.430000000000007 110.875 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.1 mtm -57.08 -53.08 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 72.299999999999997 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.54 -50.65 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 74.530000000000001 110.949 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.18 60.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.219999999999999 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.409999999999997 112.42 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 54.9 m -74.0 -52.3 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 71.430000000000007 111.15 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.89 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.868 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.32 -47.96 80.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -58.77 -47.85 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -52.04 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 75.120000000000005 110.986 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -56.11 -30.22 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.409999999999997 110.904 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.92 -56.45 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 74.5 112.525 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -51.16 -30.59 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 72.049999999999997 110.853 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -69.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 51.44 52.86 13.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 63.520000000000003 110.896 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -107.82 -26.54 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 168.64 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 62.539999999999999 110.793 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 38.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.420000000000002 110.858 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -141.57 90.94 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.851 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.299999999999997 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 14.1 mtp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.86 0.362 . . . . 73.329999999999998 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 132.6 69.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 60.240000000000002 112.477 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 -116.65 -20.62 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 73.010000000000005 110.844 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m -76.89 -31.87 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.208 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -63.69 -13.76 45.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 73.310000000000002 110.845 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.96 -32.39 70.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.975 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.29 -53.98 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 74.409999999999997 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.8 -49.45 72.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 64.530000000000001 110.84 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.27 83.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 72.400000000000006 111.092 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.010000000000005 110.897 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.72 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 64.010000000000005 111.13 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 111.109 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.9 -49.93 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 73.010000000000005 111.17 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.14 97.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 63.439999999999998 111.061 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.24 -51.09 58.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 74.299999999999997 112.551 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.84 -49.98 75.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.239999999999995 110.851 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 53.8 t -54.3 -52.16 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 75.129999999999995 111.09 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.25 -36.37 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 111.09 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.0 -52.8 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 74.349999999999994 111.176 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.74 -40.72 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -71.15 -55.33 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.4 mtm -57.21 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.885 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -54.95 -48.93 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 55.509999999999998 110.904 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.8 -52.96 49.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 63.299999999999997 112.453 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.74 79.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 62.130000000000003 112.523 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.3 m -73.36 -51.24 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 74.120000000000005 111.133 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -54.9 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 70.230000000000004 110.907 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.76 -46.64 84.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 71.219999999999999 110.941 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.76 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -52.05 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 75.120000000000005 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.49 -53.78 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 73.420000000000002 110.827 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.94 -42.42 99.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 61.43 112.457 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -55.28 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 71.530000000000001 110.893 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -119.87 69.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -63.12 -52.66 61.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -98.35 -178.18 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 74.340000000000003 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.57 159.39 36.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 65.200000000000003 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 55.98 35.31 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.510000000000005 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 33.7 m80 56.59 45.88 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.400000000000006 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 36.4 m170 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 75.319999999999993 110.882 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.777 0.322 . . . . 71.25 110.811 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -154.6 90.48 0.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 43.009999999999998 112.44 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.6 92.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 75.129999999999995 110.859 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m -126.76 -50.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 72.450000000000003 111.183 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -63.57 -12.79 35.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 75.319999999999993 110.854 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 10.2 mt -70.46 -32.41 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 70.200000000000003 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -59.99 -56.2 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 75.010000000000005 111.088 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 43.1 mmm -62.45 -49.19 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 60.229999999999997 110.899 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.4 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 64.219999999999999 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 72.299999999999997 110.947 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 89.0 m -60.44 -44.27 95.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 54.539999999999999 111.13 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.27 -50.74 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 62.5 111.147 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.87 -50.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.120000000000005 111.101 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.09 97.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 73.329999999999998 111.074 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.7 54.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 65.349999999999994 112.494 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.49 -50.1 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 74.299999999999997 110.937 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.23 -52.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 71.319999999999993 111.118 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.14 -36.17 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 64.040000000000006 111.176 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.2 mt -67.24 -53.08 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 74.540000000000006 111.104 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.46 -39.84 81.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 65.319999999999993 110.916 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -72.23 -55.37 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.439999999999998 110.883 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -57.2 -53.16 61.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.45 -49.42 70.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 74.409999999999997 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.83 -52.62 51.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 74.409999999999997 112.49 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.33 78.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 75.329999999999998 112.488 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.1 m -73.81 -51.37 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 73.120000000000005 111.092 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -55.58 32.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 75.129999999999995 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.29 -46.32 83.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.439999999999998 110.951 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.42 -49.65 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.924 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.86 67.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 73.540000000000006 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.08 -53.68 39.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 72.010000000000005 110.822 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.24 -32.49 80.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 54.119999999999997 112.451 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -61.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 73.409999999999997 110.872 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.96 35.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 110.864 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -53.52 -29.09 34.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 60.130000000000003 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -44.44 44.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 110.792 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -87.35 177.08 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 74.099999999999994 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -137.17 178.9 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 71.349999999999994 110.798 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -120.73 -68.38 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 74.219999999999999 110.832 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 75.310000000000002 110.829 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.831 0.348 . . . . 74.239999999999995 110.815 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 89.13 78.42 1.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 74.319999999999993 112.516 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -117.5 -20.26 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 75.25 110.842 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 90.0 m -77.09 -31.36 55.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.329999999999998 111.221 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -63.93 -13.53 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 110.854 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 10.2 mt -70.39 -32.2 69.76 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.223 -0.444 . . . . 72.439999999999998 110.901 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.3 -54.12 49.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 111.102 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.84 -49.34 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 70.150000000000006 110.862 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.28 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 111.084 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.56 -43.44 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 75.010000000000005 110.861 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 87.4 m -60.84 -44.01 97.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 74.030000000000001 111.148 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.55 -50.81 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.329999999999998 111.108 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.9 -49.44 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 72.450000000000003 111.111 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.340000000000003 111.102 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.34 -51.0 57.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.709 -0.758 . . . . 53.340000000000003 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.75 -50.62 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 74.25 110.921 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 52.2 t -53.74 -52.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 74.319999999999993 111.057 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.21 -36.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.439999999999998 111.142 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.07 -52.8 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 73.5 111.147 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -40.78 84.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 110.897 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.9 mtm -71.23 -55.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.349999999999994 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.23 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 72.310000000000002 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.11 -50.64 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.219999999999999 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -50.74 64.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 73.409999999999997 112.462 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.44 -33.16 83.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.704 -0.76 . . . . 73.120000000000005 112.509 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.6 m -73.47 -53.56 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 74.040000000000006 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -54.99 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 54.32 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.37 -51.27 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.899 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.06 -45.0 79.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 71.439999999999998 110.933 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -52.14 64.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 73.040000000000006 110.95 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -52.6 -32.05 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 75.299999999999997 110.889 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -83.8 -57.49 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 74.030000000000001 112.516 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -28.8 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 75.239999999999995 110.901 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.0 mmm-85 -58.09 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 73.219999999999999 110.876 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -69.21 -27.77 65.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.796 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.93 155.78 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -112.19 154.26 25.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.807 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.48 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.869 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -121.16 166.85 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 72.109999999999999 110.821 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 72.230000000000004 110.856 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.848 0.356 . . . . 74.349999999999994 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 127.05 81.51 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 75.430000000000007 112.488 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 92.56 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 74.25 110.952 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m -128.04 -51.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 71.120000000000005 111.163 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.86 -12.31 35.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 71.409999999999997 110.803 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.81 -32.25 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 73.439999999999998 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.02 -56.1 25.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.540000000000006 111.232 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.71 -48.83 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.927 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.65 -43.25 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.962 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 81.0 m -60.75 -44.16 97.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 72.329999999999998 111.132 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.41 -50.93 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 111.135 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.84 -49.51 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 63.030000000000001 111.116 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 64.519999999999996 111.122 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.23 -51.55 53.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 72.109999999999999 112.446 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.47 -50.68 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 73.040000000000006 110.925 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.75 -51.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 111.151 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 96.6 t -55.15 -36.5 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 111.084 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.44 -52.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.150000000000006 111.1 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.45 -39.79 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.109999999999999 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.8 mtm -72.43 -55.21 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 71.549999999999997 110.924 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.07 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.818 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.68 -51.11 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -50.43 67.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 61.329999999999998 112.505 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.25 -32.67 82.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 73.049999999999997 112.477 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.29 -53.65 9.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 74.319999999999993 111.205 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.25 -56.13 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -50.83 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 74.329999999999998 110.908 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -55.68 -45.49 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -52.05 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 71.409999999999997 110.899 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -52.29 -31.69 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 64.239999999999995 110.818 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -84.54 -56.93 2.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 74.310000000000002 112.455 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.64 -28.54 21.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.339 . . . . 75.549999999999997 110.918 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.94 -49.05 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 74.510000000000005 110.844 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 35.8 t60 71.24 -68.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 74.109999999999999 110.867 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 9.3 t60 56.8 91.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 72.310000000000002 110.865 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.1 149.63 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 72.549999999999997 110.876 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -116.65 -33.46 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.239999999999995 110.902 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -36.15 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.040000000000006 110.882 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.877 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 14.2 mtt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.816 0.341 . . . . 75.25 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 134.53 143.58 4.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 75.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 13.7 34.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.966 0.412 . . . . 74.019999999999996 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 93.2 m -113.73 -36.32 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 111.104 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -64.3 -12.65 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.5 110.88 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.18 -32.28 70.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.911 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.34 -54.12 49.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.5 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.91 -48.95 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 63.049999999999997 110.945 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.58 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 111.123 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.25 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.450000000000003 110.909 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 79.5 m -60.71 -44.6 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 74.420000000000002 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.65 -50.55 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.319999999999993 111.178 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.59 -50.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 70.329999999999998 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.29 98.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 61.439999999999998 111.109 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.03 -51.12 56.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 73.319999999999993 112.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.85 -51.03 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 75.340000000000003 110.99 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 54.1 t -53.05 -52.15 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 72.019999999999996 111.104 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.5 t -55.44 -36.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.450000000000003 111.172 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.07 -52.7 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.510000000000005 111.136 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.8 -40.68 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.4 mtm -71.22 -55.24 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 64.099999999999994 110.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.23 -53.12 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 71.349999999999994 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.0 -49.61 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 71.200000000000003 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.01 -51.99 55.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 65.120000000000005 112.473 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.14 -32.59 82.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 55.119999999999997 112.513 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.34 -52.68 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 75.010000000000005 111.158 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.0 -55.14 34.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 74.319999999999993 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.219999999999999 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.44 -43.49 96.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 71.239999999999995 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -52.52 64.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 75.510000000000005 110.912 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -53.08 -39.18 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.66 -35.09 37.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 72.450000000000003 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.92 -40.59 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 74.049999999999997 110.85 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.55 20.51 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.219999999999999 110.877 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -64.55 -42.69 95.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -97.28 -40.83 8.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.329999999999998 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -63.66 167.84 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 72.25 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -116.27 111.62 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 71.340000000000003 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -89.98 114.67 26.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 65.120000000000005 110.905 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 4.7 m80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.349999999999994 110.859 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.742 0.306 . . . . 72.349999999999994 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -170.81 -95.92 0.1 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 63.439999999999998 112.543 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 54.72 91.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 74.319999999999993 110.855 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.6 m -138.6 -50.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 75.030000000000001 111.156 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -64.26 -12.05 37.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 74.530000000000001 110.895 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.5 mt -70.75 -32.29 69.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.349999999999994 110.848 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.13 -56.27 23.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 111.054 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.63 -48.71 78.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 110.836 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.68 84.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 63.020000000000003 111.086 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.25 -43.44 98.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 73.25 110.922 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 75.0 m -60.5 -44.67 95.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 75.400000000000006 111.107 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.53 -50.49 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.340000000000003 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.57 -50.36 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 111.112 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.11 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.549999999999997 111.087 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.84 -51.89 50.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 73.329999999999998 112.46 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.7 -51.12 71.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.842 0.354 . . . . 74.439999999999998 110.838 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.97 -52.16 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 111.127 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 99.4 t -55.51 -36.37 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 71.140000000000001 111.09 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.31 -52.87 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 74.25 111.138 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.52 -39.82 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.44 -55.06 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 73.519999999999996 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.28 -53.2 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -54.53 -49.84 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 75.430000000000007 110.967 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.83 56.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 72.219999999999999 112.471 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.11 81.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 71.109999999999999 112.446 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.85 -52.73 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 73.319999999999993 111.098 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.9 -56.04 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.99 -47.63 80.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.954 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -60.04 -44.05 94.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.93 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.47 56.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 75.420000000000002 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -51.89 -38.27 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.540000000000006 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -71.13 -58.0 5.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 72.430000000000007 112.52 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -31.1 62.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 72.25 110.898 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -95.19 26.76 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 74.140000000000001 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -51.63 -30.46 21.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.150000000000006 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -103.95 79.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 54.520000000000003 110.881 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -108.42 -45.17 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.019999999999996 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -142.22 -74.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.439999999999998 110.88 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.76 136.68 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.439999999999998 110.817 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.239999999999995 110.852 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 19.2 ttt . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.812 0.339 . . . . 74.030000000000001 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 151.78 -44.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 63.539999999999999 112.548 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? 62.07 15.38 7.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 73.349999999999994 110.873 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 94.8 m -92.58 -34.22 14.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 111.054 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.14 -13.11 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.839 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.56 -32.33 69.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.209999999999994 110.847 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.32 -54.09 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 73.310000000000002 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 78.6 mtm -63.85 -48.96 74.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.9 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 54.43 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.7 -43.73 98.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.1 m -60.37 -43.62 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 60.549999999999997 111.192 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.4 -52.05 65.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 74.209999999999994 111.215 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.19 -46.23 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 111.085 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.74 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 73.120000000000005 111.105 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.68 -51.06 61.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.665 -0.778 . . . . 64.129999999999995 112.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 29.4 mt -59.39 -45.21 92.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.863 0.363 . . . . 74.140000000000001 110.945 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 62.1 t -59.2 -53.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.299999999999997 111.139 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.08 -32.72 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 111.102 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.84 -52.62 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.063 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.8 -41.07 85.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 37.2 mtm -70.99 -55.47 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 72.230000000000004 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.9 mtm -56.83 -53.78 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 110.829 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.1 mt -55.08 -48.58 73.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 74.140000000000001 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.16 -53.23 46.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 51.420000000000002 112.471 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.0 -31.96 81.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 53.340000000000003 112.457 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.44 -53.72 10.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 73.140000000000001 111.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -55.08 35.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.67 -49.5 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 75.239999999999995 110.963 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.72 -48.5 80.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.109999999999999 110.865 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.14 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 75.340000000000003 110.945 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -52.94 -53.87 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 74.129999999999995 110.823 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -64.84 -27.29 71.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.72 . . . . 54.140000000000001 112.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -65.48 -61.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 73.239999999999995 110.907 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -54.12 -35.04 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.510000000000005 110.835 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -56.7 -27.2 58.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.010000000000005 110.901 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.33 130.61 56.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 64.140000000000001 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.03 -68.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 75.349999999999994 110.865 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.24 129.33 41.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.439999999999998 110.839 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -98.91 155.72 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 74.319999999999993 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 119.202 -0.428 . . . . 73.219999999999999 110.848 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.749 0.309 . . . . 74.530000000000001 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -112.83 -92.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 73.519999999999996 112.497 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 54.79 91.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 74.25 110.803 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 80.0 m -131.27 -50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 111.059 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -64.14 -12.11 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.78 -32.41 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 72.299999999999997 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.03 -56.14 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 75.049999999999997 111.161 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 78.5 mtm -62.6 -48.72 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 72.409999999999997 110.889 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.3 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.439999999999998 111.145 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.91 -43.63 98.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.933 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.36 -43.63 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 111.1 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.4 -52.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.68 94.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 74.109999999999999 111.153 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.47 -52.06 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 75.219999999999999 112.466 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.95 -45.12 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 75.439999999999998 110.927 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 63.7 t -59.19 -53.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 73.420000000000002 111.134 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 94.5 t -54.92 -32.57 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.209999999999994 111.092 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 23.8 mt -66.84 -52.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.127 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.5 -40.59 83.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 110.931 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 36.9 mtm -71.76 -55.47 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 74.340000000000003 110.841 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.76 -54.05 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 75.109999999999999 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.929 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.03 48.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 62.329999999999998 112.501 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.04 -31.7 80.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 64.019999999999996 112.46 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 49.5 m -73.55 -54.05 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 74.200000000000003 111.204 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -55.97 24.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.926 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.01 -49.29 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 74.409999999999997 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -58.33 -48.69 79.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.925 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -52.54 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.420000000000002 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -53.35 -53.97 43.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 110.892 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.13 83.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 44.210000000000001 112.465 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -61.41 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 73.439999999999998 110.825 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -118.67 69.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 75.109999999999999 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -83.17 55.54 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.847 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.67 32.3 0.87 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 74.409999999999997 110.882 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.85 -71.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.049999999999997 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 56.97 26.04 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.549999999999997 110.845 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -153.62 164.6 37.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.894 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 63.420000000000002 110.839 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.834 0.35 . . . . 74.400000000000006 110.963 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 151.11 88.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.69 -0.767 . . . . 75.540000000000006 112.444 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.17 14.98 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 73.099999999999994 110.95 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 89.0 m -107.91 -34.7 6.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 61.439999999999998 111.142 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -12.94 46.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 74.200000000000003 110.844 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.25 -32.35 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.96 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.18 -54.08 50.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 75.310000000000002 111.222 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -63.87 -49.09 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 74.319999999999993 110.919 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.46 84.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 63.149999999999999 111.092 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.3 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 73.430000000000007 110.92 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 79.7 m -60.74 -44.75 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 111.106 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.67 -50.6 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 73.340000000000003 111.177 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.14 -50.47 79.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 111.072 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.39 97.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 75.010000000000005 111.135 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.0 -50.97 56.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.7 -0.762 . . . . 74.400000000000006 112.557 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.94 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 75.340000000000003 110.922 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.09 -52.23 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 73.140000000000001 111.203 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.1 t -55.17 -36.79 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 111.087 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.97 -52.75 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.53 -40.92 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 63.420000000000002 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.14 -55.37 8.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.510000000000005 110.874 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.01 -53.13 61.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.768 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.01 -50.16 69.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 72.430000000000007 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.8 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.716 . . . . 62.439999999999998 112.486 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.07 -32.66 83.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 61.299999999999997 112.514 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.42 -51.55 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 75.239999999999995 111.127 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -55.0 39.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 62.43 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.55 -47.03 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -60.61 -48.77 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 75.409999999999997 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -52.16 66.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 110.885 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.2 -53.74 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 75.200000000000003 110.858 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.03 98.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.68 -0.771 . . . . 75.040000000000006 112.495 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.35 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 75.049999999999997 110.811 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -66.7 -28.49 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 110.87 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -69.91 -26.66 64.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 65.109999999999999 110.838 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.59 -53.19 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 74.319999999999993 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -94.19 124.86 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.239999999999995 110.946 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 129.9 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 74.040000000000006 110.879 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -90.97 175.91 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 110.873 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 110.868 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.862 0.363 . . . . 74.030000000000001 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 128.65 146.66 6.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 51.219999999999999 112.535 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 53.03 89.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.329999999999998 110.912 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.5 m -128.6 -49.72 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 111.133 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -11.94 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.854 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.59 -32.28 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.230000000000004 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 111.178 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -62.69 -48.87 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 71.219999999999999 110.829 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.47 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 111.099 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.39 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 74.409999999999997 110.919 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.4 m -60.63 -44.79 95.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 111.129 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.65 -50.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 74.409999999999997 111.138 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.88 -50.49 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 75.230000000000004 111.148 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.2 98.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.450000000000003 111.035 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.9 -51.75 51.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 64.430000000000007 112.461 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.63 -51.09 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 71.400000000000006 110.942 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.9 t -53.15 -52.14 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.040000000000006 111.081 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 99.8 t -55.2 -36.65 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 71.049999999999997 111.165 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.15 -52.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 72.239999999999995 111.072 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.34 -40.01 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.019999999999996 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.35 -55.36 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.510000000000005 110.851 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -56.9 -53.08 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.7 -50.48 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 75.230000000000004 110.941 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -51.54 57.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.040000000000006 112.453 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.41 82.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 73.109999999999999 112.524 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.0 m -73.83 -51.62 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 72.109999999999999 111.136 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -55.79 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 71.400000000000006 110.866 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.12 -46.69 82.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -60.17 -49.08 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 73.040000000000006 110.923 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -52.58 64.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 73.239999999999995 110.921 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.61 -54.01 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.540000000000006 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.98 99.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 72.239999999999995 112.526 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -62.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 73.430000000000007 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -118.95 69.24 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.549999999999997 110.927 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.3 60.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -159.11 82.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 65.010000000000005 110.799 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -148.33 156.39 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -163.37 64.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 74.439999999999998 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -71.49 160.36 32.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 110.908 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.818 0.342 . . . . 74.129999999999995 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -119.23 83.88 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.673 -0.775 . . . . 72.120000000000005 112.49 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.29 92.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 75.230000000000004 110.863 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 95.7 m -129.25 -49.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 73.409999999999997 111.206 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.01 -12.03 34.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 73.439999999999998 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.77 -32.91 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.209999999999994 110.943 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -54.09 50.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -63.82 -49.64 72.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.099999999999994 110.822 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.83 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.1 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.58 -43.56 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 110.954 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.9 m -60.42 -42.57 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 75.209999999999994 111.168 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.25 -52.58 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 74.319999999999993 111.058 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.1 -44.53 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 111.131 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.64 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.310000000000002 111.039 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.06 -51.08 61.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 51.229999999999997 112.477 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.6 -45.78 90.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 74.209999999999994 110.943 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.95 -53.06 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 64.010000000000005 111.116 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 86.8 t -55.02 -33.13 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 111.12 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.66 -52.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.230000000000004 111.085 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.99 -40.72 85.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 54.9 mtm -71.16 -55.41 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 75.409999999999997 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 23.8 mtm -57.03 -53.42 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 74.129999999999995 110.859 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.0 -50.36 69.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 110.881 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.4 58.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 62.119999999999997 112.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.79 -33.3 85.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 51.200000000000003 112.507 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -73.46 -53.88 9.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 74.310000000000002 111.184 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -55.06 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 70.019999999999996 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.36 -51.27 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 63.520000000000003 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.67 -45.79 81.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 75.120000000000005 110.91 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -51.89 67.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 71.200000000000003 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -53.6 -33.2 54.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.857 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -81.07 -57.56 2.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 64.349999999999994 112.528 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -28.23 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 72.209999999999994 110.874 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -85.21 -32.12 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -63.81 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.815 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -65.25 106.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 110.875 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.2 104.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 70.019999999999996 110.842 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -71.72 -52.61 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.93 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 54.42 44.25 29.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 70.200000000000003 110.873 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 71.019999999999996 110.868 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.823 0.344 . . . . 74.120000000000005 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -112.84 -101.84 2.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 75.349999999999994 112.459 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 54.29 91.57 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 74.040000000000006 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.9 m -140.44 -49.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.299999999999997 111.192 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.27 -11.9 36.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.854 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.93 -32.86 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 74.540000000000006 110.89 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.49 -55.99 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.149 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.77 -49.3 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 73.400000000000006 110.888 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.9 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 75.530000000000001 111.071 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.72 -43.4 98.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.200000000000003 110.959 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.4 m -60.38 -42.51 96.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 62.210000000000001 111.135 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.17 -52.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 72.030000000000001 111.075 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.94 -44.47 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 111.13 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.62 93.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 111.087 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -58.88 -52.13 55.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 52.039999999999999 112.514 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 36.5 mt -58.95 -45.7 89.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.328 . . . . 75.219999999999999 110.858 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.5 t -58.93 -53.19 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 75.319999999999993 111.052 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 87.0 t -54.88 -32.91 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.329999999999998 111.145 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 24.0 mt -66.9 -52.99 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 73.329999999999998 111.097 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.65 -40.04 82.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.319999999999993 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 55.0 mtm -72.14 -55.41 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 73.439999999999998 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 23.6 mtm -56.98 -53.51 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 70.319999999999993 110.888 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.8 mt -54.49 -50.55 67.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 73.129999999999995 110.922 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.44 58.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 51.130000000000003 112.476 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.86 -32.65 83.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 74.420000000000002 112.457 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.6 m -73.94 -54.52 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.319999999999993 111.164 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -56.04 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.897 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.55 -50.8 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 75.109999999999999 110.875 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.57 -46.51 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 71.340000000000003 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 73.349999999999994 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -53.71 -32.79 53.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 72.439999999999998 110.911 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.55 -55.9 4.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.666 -0.778 . . . . 75.140000000000001 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -31.02 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 74.340000000000003 110.856 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -94.07 20.17 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 75.549999999999997 110.942 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -52.25 -29.77 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 75.010000000000005 110.921 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -51.91 112.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.895 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.86 86.81 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.530000000000001 110.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -150.22 83.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.922 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -103.33 139.19 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 63.210000000000001 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.340000000000003 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 23.1 ttp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.878 0.37 . . . . 72.439999999999998 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -138.15 -142.19 4.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 52.149999999999999 112.512 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -118.51 -25.42 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.899 0.38 . . . . 75.129999999999995 110.873 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 60.4 m -75.51 -32.42 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 72.329999999999998 111.147 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -61.89 -15.31 41.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 73.340000000000003 110.915 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 14.1 mt -70.6 -32.22 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 73.129999999999995 110.916 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.6 m -60.34 -54.01 50.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 70.239999999999995 111.089 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 34.7 mtp -63.79 -49.51 72.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 74.329999999999998 110.897 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.54 83.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 75.120000000000005 111.12 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 7.7 mt -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.540000000000006 110.94 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.0 m -60.56 -44.3 96.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 111.128 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.59 -50.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 71.030000000000001 111.159 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 70.0 mt -56.94 -50.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 75.230000000000004 111.102 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.37 97.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 64.530000000000001 110.997 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.07 55.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 75.120000000000005 112.512 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.94 -51.08 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 74.019999999999996 110.939 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 55.5 t -52.87 -51.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 111.173 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.0 t -55.88 -36.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 73.019999999999996 111.103 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.03 -52.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.329999999999998 111.141 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.04 -40.61 85.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.200000000000003 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.9 mtm -71.17 -54.88 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 75.5 110.861 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.7 -53.08 62.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 75.120000000000005 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.08 -48.95 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.0 -52.54 51.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 62.420000000000002 112.46 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.86 79.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 62.439999999999998 112.533 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 48.1 m -73.32 -52.39 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 73.230000000000004 111.124 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -55.0 36.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.87 -49.09 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 75.409999999999997 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -58.27 -47.88 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.319999999999993 110.881 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.52 -30.89 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.349999999999994 110.837 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.9 -56.17 3.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 74.129999999999995 112.446 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -53.65 -27.67 28.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 75.239999999999995 110.911 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -63.03 -33.62 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 74.409999999999997 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.67 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 64.409999999999997 110.832 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 55.96 62.19 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -122.12 -34.92 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.340000000000003 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -142.77 172.14 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 55.119999999999997 110.822 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -146.31 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.340000000000003 110.88 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.918 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.844 0.354 . . . . 75.409999999999997 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -157.46 84.32 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 52.200000000000003 112.476 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -139.27 88.9 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 73.329999999999998 110.847 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m -132.0 -51.12 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.120000000000005 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.96 -14.32 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.450000000000003 110.836 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.84 -32.37 69.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 110.927 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.5 m -60.01 -55.97 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 111.142 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.65 -49.09 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.540000000000006 110.944 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.66 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.450000000000003 111.071 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 82.6 m -60.35 -44.37 95.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 75.030000000000001 111.19 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.56 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 72.420000000000002 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.89 -50.56 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 111.064 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.23 97.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.093 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 73.299999999999997 112.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.63 -51.26 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 73.450000000000003 110.913 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.4 t -52.96 -51.99 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.239999999999995 111.136 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 98.3 t -55.61 -36.28 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 62.549999999999997 111.105 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.1 mt -67.31 -52.79 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 111.153 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.71 -39.76 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 63.350000000000001 110.929 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.0 mtm -72.39 -54.71 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.69 -53.24 60.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 75.510000000000005 110.851 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.52 -49.35 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.909 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.34 52.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 73.349999999999994 112.456 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.39 -31.3 78.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 75.120000000000005 112.518 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 48.7 m -74.06 -52.45 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 74.319999999999993 111.205 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.77 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.867 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.21 -48.63 78.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.040000000000006 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -58.27 -48.06 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.9 -52.17 66.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 75.120000000000005 110.916 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.37 -30.68 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.319999999999993 110.925 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.82 -57.63 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 65.329999999999998 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.92 -31.16 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 74.120000000000005 110.864 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -90.98 -57.31 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 51.24 49.52 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -126.04 62.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -122.58 -58.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 65.310000000000002 110.889 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 62.15 170.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 64.239999999999995 110.836 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -156.47 99.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.549999999999997 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.858 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 75.140000000000001 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 169.41 -79.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 73.349999999999994 112.47 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.23 14.72 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 75.049999999999997 110.825 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 75.5 m -115.07 -36.66 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 74.209999999999994 111.101 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -63.9 -12.95 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.450000000000003 110.844 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.49 -32.52 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.1 -54.19 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 111.15 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 67.9 mtm -63.72 -49.02 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.0 110.953 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.62 84.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 62.140000000000001 111.145 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.16 -43.45 98.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 110.945 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 82.5 m -60.62 -44.7 96.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 111.132 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.51 -50.39 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 75.310000000000002 111.122 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.3 mt -58.7 -50.87 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 71.310000000000002 111.122 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.33 96.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 111.141 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.11 51.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 74.319999999999993 112.485 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.92 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 75.519999999999996 110.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.81 -52.17 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 111.122 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.53 -36.4 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.106 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.049999999999997 111.189 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.72 -40.82 84.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 110.935 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 49.1 mtm -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.340000000000003 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.27 -53.23 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.230000000000004 110.821 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.0 -49.27 71.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 74.140000000000001 110.922 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.04 54.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 64.120000000000005 112.409 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.07 79.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.761 -0.733 . . . . 75.219999999999999 112.449 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.4 m -73.31 -50.77 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 74.299999999999997 111.129 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.883 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.92 -45.73 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 74.310000000000002 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -62.22 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.019999999999996 110.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -52.25 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 72.439999999999998 110.96 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -53.12 -53.36 51.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.439999999999998 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.31 -24.28 63.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 62.399999999999999 112.411 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -39.35 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 73.230000000000004 110.88 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -27.54 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 74.140000000000001 110.822 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -76.3 -44.99 34.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 110.827 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 128.44 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 75.319999999999993 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 115.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 74.430000000000007 110.867 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.44 149.96 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.834 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -72.14 132.77 44.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 75.310000000000002 110.828 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 72.310000000000002 110.87 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.859 0.362 . . . . 74.040000000000006 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -101.88 -98.95 2.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 63.229999999999997 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 54.82 91.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.402 . . . . 73.25 110.888 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m -130.19 -50.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 74.430000000000007 111.149 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.98 -12.23 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.030000000000001 110.825 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.8 -32.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 64.420000000000002 110.891 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.97 -56.17 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 72.319999999999993 111.145 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 67.8 mtm -62.61 -48.7 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 110.865 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.74 84.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.25 -43.42 98.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 75.200000000000003 110.9 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.3 m -60.44 -44.75 95.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.43 -50.45 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.439999999999998 111.084 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -50.94 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.420000000000002 111.114 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.14 96.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 60.210000000000001 111.116 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.73 -51.73 46.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 73.230000000000004 112.539 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.65 -51.48 69.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 75.230000000000004 110.988 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.4 t -52.7 -52.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.409999999999997 111.043 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 63.0 t -55.55 -36.19 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.329999999999998 111.068 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.26 -52.91 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 111.096 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.44 -39.94 81.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.934 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.8 mtm -72.45 -55.1 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 73.239999999999995 110.838 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.7 mtm -57.23 -53.16 61.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.409999999999997 110.872 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.65 -49.76 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.893 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.68 -51.61 57.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 71.140000000000001 112.489 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.83 -31.73 79.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 74.510000000000005 112.512 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.8 -50.72 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 71.109999999999999 111.112 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -55.83 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.66 -45.46 85.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 74.519999999999996 110.848 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.92 -46.16 90.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 73.209999999999994 110.972 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -53.21 60.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 71.030000000000001 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -53.11 -53.35 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 70.329999999999998 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.36 -20.92 63.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 73.25 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -88.29 -17.48 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 75.409999999999997 110.894 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.36 -76.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 75.349999999999994 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -141.0 17.43 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 74.049999999999997 110.812 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.93 32.41 6.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.420000000000002 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -68.05 -26.05 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -54.25 146.04 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.120000000000005 110.879 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -132.51 51.16 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.852 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.785 0.326 . . . . 73.140000000000001 110.956 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 139.47 -66.72 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.74 -0.743 . . . . 75.019999999999996 112.448 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -11.53 9.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.854 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 92.0 m -77.07 -31.51 56.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 63.520000000000003 111.14 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -13.57 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.400000000000006 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.56 -32.62 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 74.109999999999999 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -54.11 49.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 74.319999999999993 111.113 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -63.76 -49.15 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 72.549999999999997 111.037 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.27 -43.58 98.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 110.909 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.1 m -60.48 -44.31 96.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 64.310000000000002 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.94 -50.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.04 -49.88 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.019999999999996 111.109 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.07 98.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 70.409999999999997 111.091 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.02 -51.07 57.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 64.319999999999993 112.472 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.62 -50.14 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 64.209999999999994 110.932 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 44.1 t -52.68 -49.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 71.510000000000005 111.198 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.3 t -58.49 -37.52 64.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 111.096 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.46 -46.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 111.147 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.91 -42.56 99.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.510000000000005 110.957 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 48.4 mtm -71.24 -45.98 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 74.239999999999995 110.798 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.07 -55.25 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 74.329999999999998 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.87 -46.05 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.420000000000002 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.15 -53.57 43.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 64.329999999999998 112.484 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.55 76.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 52.119999999999997 112.471 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.4 m -73.28 -53.86 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 74.329999999999998 111.137 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -55.03 31.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.42 . . . . 72.450000000000003 110.845 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.89 -50.39 73.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 74.010000000000005 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -57.05 -46.05 82.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.200000000000003 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -52.09 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 73.409999999999997 110.939 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -56.8 -31.2 64.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 72.140000000000001 110.942 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.62 -57.35 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 42.229999999999997 112.483 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -31.0 20.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 74.450000000000003 110.886 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -85.91 -34.86 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 64.439999999999998 110.92 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.36 -54.42 47.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.89 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -68.62 157.25 36.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 75.25 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 59.61 44.44 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.530000000000001 110.886 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -76.97 150.76 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.845 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -123.22 146.77 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.099999999999994 110.882 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.885 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.854 0.359 . . . . 71.25 110.839 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 82.07 65.95 1.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 60.130000000000003 112.439 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -139.46 89.12 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 72.129999999999995 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 93.8 m -134.88 -49.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 74.040000000000006 111.193 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -12.48 37.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.540000000000006 110.82 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.86 -32.57 69.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.219999999999999 110.924 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -62.51 -48.99 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.99 -41.71 83.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 65.099999999999994 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.38 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 74.140000000000001 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.9 m -60.51 -44.25 96.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 74.140000000000001 111.141 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.11 -50.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.319999999999993 111.088 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.82 -50.07 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 73.519999999999996 111.164 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.0 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.519999999999996 111.044 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.89 -51.6 54.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.798 -0.715 . . . . 64.400000000000006 112.464 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.29 -50.49 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 74.140000000000001 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.45 -49.84 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.55 -37.32 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.219999999999999 111.126 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 40.0 mt -66.73 -46.61 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 75.329999999999998 111.088 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -62.7 -41.83 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.3 mtm -72.22 -45.78 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 73.200000000000003 110.943 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.6 mtm -65.17 -55.59 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.887 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -53.96 -46.47 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.946 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.34 -53.73 41.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 71.439999999999998 112.483 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.59 75.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 71.299999999999997 112.515 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.19 -54.61 7.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 74.420000000000002 111.132 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.87 -55.49 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.901 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.23 -50.09 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 74.140000000000001 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.83 -46.3 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.935 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -52.42 64.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.53 -31.74 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 71.230000000000004 110.809 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -84.23 -28.75 32.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 55.520000000000003 112.48 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -65.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 72.120000000000005 110.906 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -119.91 69.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 110.9 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -56.17 -31.89 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 74.299999999999997 110.89 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -67.08 108.6 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -161.81 113.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.439999999999998 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -117.8 100.81 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 71.219999999999999 110.831 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 72.530000000000001 110.879 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.200000000000003 110.839 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 2.1 tpp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.77 0.319 . . . . 74.25 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 112.36 144.48 9.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 35.32 112.531 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 -19.48 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 72.329999999999998 110.882 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 7.0 t -77.0 -30.48 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 55.32 111.122 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -64.29 -13.61 50.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.3 -32.51 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 71.120000000000005 110.909 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.17 -54.04 50.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 73.150000000000006 111.207 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.76 -49.05 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 75.200000000000003 110.853 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.66 85.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.549999999999997 111.081 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.11 -43.77 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 75.409999999999997 110.883 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 80.0 m -60.31 -44.72 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 111.106 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.49 -50.42 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.05 -50.67 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.07 97.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 74.040000000000006 111.119 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.08 56.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 61.420000000000002 112.509 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.01 -50.91 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 74.439999999999998 110.921 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 55.8 t -53.14 -52.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 73.409999999999997 111.141 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.37 -36.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 111.147 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.08 -52.71 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 74.239999999999995 111.126 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.84 -40.62 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -71.17 -55.1 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 110.894 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.45 -52.92 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 73.239999999999995 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -54.97 -50.55 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.439999999999998 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.88 55.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 74.109999999999999 112.454 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.19 85.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 71.129999999999995 112.494 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -73.39 -52.17 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 74.430000000000007 111.152 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -55.07 38.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 74.319999999999993 110.85 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.16 -47.38 81.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.340000000000003 110.934 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.17 -49.59 77.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -51.99 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 74.549999999999997 110.937 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -52.35 -53.76 40.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 74.530000000000001 110.824 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.18 -36.16 91.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 75.129999999999995 112.503 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -67.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 74.510000000000005 110.842 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -70.01 -67.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 75.230000000000004 110.84 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 51.57 52.3 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 72.319999999999993 110.92 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 172.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.430000000000007 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -55.64 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.450000000000003 110.883 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 56.49 36.05 26.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 63.409999999999997 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -63.42 155.73 28.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.209999999999994 110.865 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.530000000000001 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 72.019999999999996 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 169.68 88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 74.120000000000005 112.452 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -153.91 92.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 75.319999999999993 110.868 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 66.9 m -130.43 -50.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 71.319999999999993 111.115 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -64.03 -12.4 38.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 110.885 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.8 mt -70.77 -32.41 69.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.867 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.95 -56.22 24.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 73.409999999999997 111.11 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -62.59 -48.79 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 74.409999999999997 110.797 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.85 84.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 64.129999999999995 111.101 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.11 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 72.239999999999995 110.908 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.24 -44.7 95.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 111.097 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.54 -50.38 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 73.109999999999999 111.093 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.91 -50.9 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 73.129999999999995 111.183 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.88 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.063 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.04 -51.78 51.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 75.030000000000001 112.449 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.81 -50.95 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 72.299999999999997 110.908 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.19 -52.39 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 73.219999999999999 111.104 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 96.9 t -55.25 -36.4 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.329999999999998 111.104 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.34 -52.96 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 71.409999999999997 111.125 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.57 -39.61 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 74.099999999999994 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.3 mtm -72.6 -54.93 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 64.200000000000003 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.49 -52.89 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 72.010000000000005 110.861 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.65 -50.96 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.409999999999997 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.02 -51.56 57.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 73.409999999999997 112.443 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.29 -33.0 85.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.783 -0.723 . . . . 63.229999999999997 112.44 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.72 -52.27 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 74.549999999999997 111.151 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -55.85 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 74.349999999999994 110.769 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.82 -46.85 81.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.010000000000005 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -59.89 -49.76 76.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.209999999999994 110.913 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -52.27 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 75.299999999999997 110.879 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.49 -53.91 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.209999999999994 110.9 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -66.28 -18.37 67.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 74.430000000000007 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -75.37 -66.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 73.530000000000001 110.882 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -123.52 67.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.299999999999997 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 179.98 34.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.882 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -80.13 -58.38 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.827 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -115.16 60.03 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 71.340000000000003 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.24 137.04 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.829 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -158.41 -61.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 75.340000000000003 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.349999999999994 110.84 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 35.2 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 74.019999999999996 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 98.85 97.27 2.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 70.150000000000006 112.511 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -118.14 -22.97 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 74.409999999999997 110.946 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 85.8 m -75.1 -30.95 61.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 72.420000000000002 111.16 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -63.49 -14.2 48.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 72.310000000000002 110.888 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.73 -32.23 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.219999999999999 110.965 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.26 -54.09 49.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 75.030000000000001 111.123 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.97 -49.31 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.8 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.99 -43.23 99.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.439999999999998 110.922 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 90.3 m -60.98 -43.76 98.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 72.310000000000002 111.157 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.62 -51.14 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 111.198 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.24 -48.26 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.109999999999999 111.154 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.56 99.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 111.064 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.89 60.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 52.130000000000003 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.52 -49.83 76.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 74.420000000000002 110.882 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 48.0 t -54.67 -51.49 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 111.13 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.39 -36.59 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 72.420000000000002 111.097 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.05 -52.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.299999999999997 111.202 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.73 -40.72 84.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.18 -55.53 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.150000000000006 110.859 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.9 mtm -56.93 -53.12 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 75.329999999999998 110.906 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.13 -49.68 71.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 110.932 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.07 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 65.439999999999998 112.509 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.28 -32.23 81.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.815 -0.707 . . . . 72.219999999999999 112.455 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.5 m -73.49 -51.56 16.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 73.329999999999998 111.135 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -54.89 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.7 -47.27 82.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 71.530000000000001 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -60.17 -48.84 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.120000000000005 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.1 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 75.150000000000006 110.927 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -52.18 -53.73 39.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 61.329999999999998 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.97 -39.39 98.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 74.040000000000006 112.424 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -55.9 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 73.299999999999997 110.834 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -58.1 -25.68 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.5 -9.17 58.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.893 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 23.8 p80 38.47 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -116.88 -27.53 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 64.530000000000001 110.822 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -29.44 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 110.839 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 15.4 m170 63.19 62.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.874 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.510000000000005 110.832 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 75.109999999999999 110.838 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -155.25 88.81 0.12 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.795 -0.717 . . . . 72.409999999999997 112.493 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -154.12 92.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 73.120000000000005 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.2 m -126.3 -51.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.120000000000005 111.156 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.52 -12.81 35.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.299999999999997 110.803 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.85 -32.25 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 71.5 110.904 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.0 -55.95 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 73.400000000000006 111.131 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.9 -48.94 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 75.319999999999993 110.925 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.97 83.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 111.094 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.11 -43.07 99.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.955 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 86.9 m -60.92 -43.71 98.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 111.146 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.52 -51.27 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.319999999999993 111.109 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.07 -48.32 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.5 99.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 111.06 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.38 56.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.766 -0.731 . . . . 73.400000000000006 112.423 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.15 -49.84 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 73.340000000000003 110.951 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.69 -51.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.040000000000006 111.107 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 86.9 t -55.36 -36.28 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 73.209999999999994 111.137 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.41 -53.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.064 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.4 -39.86 80.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 110.883 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.9 mtm -72.39 -55.39 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.409999999999997 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.5 mtm -56.92 -53.18 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 73.439999999999998 110.872 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -54.71 -50.12 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.78 56.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 71.319999999999993 112.489 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 74.329999999999998 112.459 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.4 m -73.91 -51.68 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 73.019999999999996 111.174 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.29 -55.64 30.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.400000000000006 110.885 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.53 -46.71 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.030000000000001 110.869 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.89 -49.05 79.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 62.109999999999999 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -52.53 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.299999999999997 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -52.45 -53.92 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 61.32 110.855 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -66.56 -23.03 71.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 75.099999999999994 112.501 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -69.92 -67.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 74.329999999999998 110.817 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -118.13 -33.1 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 71.22 -68.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.349999999999994 110.813 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 63.35 158.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 73.430000000000007 110.84 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 162.88 6.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.815 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 164.02 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.230000000000004 110.853 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -97.85 111.89 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.319999999999993 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 29.6 p80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 75.140000000000001 110.876 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.777 0.322 . . . . 74.340000000000003 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 165.53 91.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 55.340000000000003 112.502 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -116.6 -15.55 10.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 74.25 110.822 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 81.5 p -88.12 -46.27 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 72.329999999999998 111.131 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -59.02 -15.42 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.049999999999997 110.859 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 11.6 mt -68.87 -33.22 73.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 75.5 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.9 m -59.87 -54.03 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.409999999999997 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 67.9 mtm -63.48 -49.83 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.826 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.19 82.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 71.5 111.115 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 7.7 mt -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -42.88 94.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 75.420000000000002 111.096 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.46 -52.57 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 74.420000000000002 111.098 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.99 -44.98 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 72.219999999999999 111.154 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.56 93.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 71.010000000000005 111.069 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.92 -51.1 60.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 75.239999999999995 112.507 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.83 -45.0 93.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 74.140000000000001 110.965 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.29 -53.55 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.519999999999996 111.162 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 86.2 t -55.21 -32.59 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.519999999999996 111.077 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.73 -52.76 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 111.152 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.72 -41.01 85.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 74.209999999999994 110.917 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.6 mtm -71.07 -55.53 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.400000000000006 110.838 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.6 mtm -56.81 -53.74 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.319999999999993 110.809 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.9 mt -54.91 -49.25 71.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 75.049999999999997 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.73 50.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 75.109999999999999 112.499 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.98 -32.24 81.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 74.140000000000001 112.541 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.37 -53.82 9.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 61.299999999999997 111.083 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -55.13 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.889 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.6 mt -56.53 -48.98 76.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -58.97 -49.26 78.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.129999999999995 110.959 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -52.13 64.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 70.439999999999998 110.947 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -52.18 -53.73 39.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 64.340000000000003 110.873 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.14 99.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.731 . . . . 74.209999999999994 112.454 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -53.04 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 73.310000000000002 110.862 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -51.35 56.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 72.319999999999993 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 51.48 47.69 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.219999999999999 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 52.49 66.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 75.239999999999995 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -153.25 155.26 36.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.420000000000002 110.808 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 130.59 50.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.795 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.31 165.84 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.400000000000006 110.849 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.439999999999998 110.863 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.878 0.37 . . . . 73.219999999999999 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -146.41 -108.04 0.54 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.688 -0.767 . . . . 74.319999999999993 112.467 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 54.58 91.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.040000000000006 110.902 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.7 m -128.82 -53.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.329999999999998 111.146 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -60.23 -14.94 20.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 74.140000000000001 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.71 -33.01 71.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.872 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.8 m -59.62 -55.72 30.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 111.199 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.41 -49.43 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.120000000000005 110.985 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.3 82.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 53.5 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.07 -44.09 97.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.120000000000005 110.937 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 84.9 m -59.78 -42.88 94.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 111.142 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.44 -52.5 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 74.129999999999995 111.173 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 62.3 mt -60.01 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.25 111.194 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.5 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.510000000000005 111.07 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.79 -51.94 55.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 74.519999999999996 112.467 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 26.4 mt -59.26 -45.13 92.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.310000000000002 110.919 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 60.1 t -59.22 -53.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 111.123 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.06 -32.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 72.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 24.6 mt -66.96 -52.89 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 111.153 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.56 -40.51 83.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.010000000000005 110.893 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.77 -55.47 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.5 mtm -56.8 -53.8 53.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.549999999999997 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.65 -49.37 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 75.239999999999995 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.58 51.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 74.349999999999994 112.489 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.91 -31.99 81.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 74.040000000000006 112.493 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.3 m -73.68 -53.92 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 73.519999999999996 111.073 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -55.93 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.430000000000007 110.823 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.16 -48.37 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 71.310000000000002 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -58.68 -49.39 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.230000000000004 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -52.6 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 73.239999999999995 110.877 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -52.14 -53.99 36.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 74.450000000000003 110.84 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.74 97.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 73.030000000000001 112.439 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 74.310000000000002 110.863 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -118.14 68.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 110.89 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -57.97 -35.81 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 110.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.49 171.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 73.209999999999994 110.827 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 62.16 169.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 110.843 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -109.83 179.59 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 73.310000000000002 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -109.63 162.72 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 71.049999999999997 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 22.4 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.299999999999997 110.86 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 48.2 mtt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.861 0.362 . . . . 75.340000000000003 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 140.46 144.6 4.5 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 72.239999999999995 112.519 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -117.66 -28.32 6.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.911 0.386 . . . . 75.450000000000003 110.878 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 85.5 m -93.74 -32.71 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 111.21 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.77 -12.42 47.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 110.854 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 8.8 mt -70.39 -32.37 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.876 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -60.26 -54.2 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -63.68 -48.95 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 75.239999999999995 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.8 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 61.399999999999999 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.140000000000001 110.9 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 83.8 m -60.61 -44.61 96.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 111.151 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.77 -50.75 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.430000000000007 111.136 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.22 -50.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 111.171 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.47 98.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 74.030000000000001 111.068 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.94 -51.01 56.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 72.340000000000003 112.48 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.88 -51.11 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 74.230000000000004 110.872 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 54.2 t -52.91 -52.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 74.409999999999997 111.154 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 94.1 t -55.64 -36.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 63.530000000000001 111.136 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.03 -52.75 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.5 111.164 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.87 -40.68 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.904 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.1 mtm -71.22 -55.02 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 63.140000000000001 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.5 -53.12 61.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.836 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -55.0 -49.23 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.32 53.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 71.019999999999996 112.486 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.86 79.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 73.409999999999997 112.474 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.4 m -73.46 -51.99 15.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 74.340000000000003 111.134 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -54.95 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.875 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.87 -48.5 79.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -58.87 -48.28 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.891 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -52.06 67.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.884 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -55.14 -32.2 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 73.030000000000001 110.882 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.73 -56.94 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 74.530000000000001 112.521 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -27.83 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 75.540000000000006 110.887 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -62.57 -47.14 85.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 110.882 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -77.62 -28.5 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.340000000000003 110.83 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -33.72 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.439999999999998 110.851 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -90.99 169.87 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.140000000000001 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.44 163.14 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 74.540000000000006 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -93.86 -31.7 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 70.099999999999994 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.845 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 74.010000000000005 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 172.7 92.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 52.340000000000003 112.518 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.0 92.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 74.430000000000007 110.837 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 81.1 m -130.57 -50.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 74.430000000000007 111.129 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -11.64 37.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 110.903 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . . . . . . . . . 8.8 mt -70.74 -32.39 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 110.925 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.0 m -60.03 -56.35 22.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 71.519999999999996 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -62.44 -48.71 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 73.230000000000004 110.898 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.88 84.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 64.329999999999998 111.159 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 646' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 73.200000000000003 110.877 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.6 m -60.64 -44.51 96.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 111.116 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.78 -50.62 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 111.164 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.17 -50.31 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.129999999999995 111.133 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.41 98.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.530000000000001 111.088 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.73 -51.76 50.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 73.200000000000003 112.477 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 652' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.59 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 74.219999999999999 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.99 -51.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 75.409999999999997 111.121 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 654' ' ' VAL . . . . . . . . . . . . . 97.1 t -55.54 -36.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 75.409999999999997 111.159 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.3 -52.83 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.200000000000003 111.151 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.67 -39.77 81.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.230000000000004 110.859 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -72.45 -54.98 7.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 110.829 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.41 -53.14 61.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 74.340000000000003 110.952 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.65 -49.61 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 74.129999999999995 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.07 54.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 63.020000000000003 112.515 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.55 79.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 74.299999999999997 112.509 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.0 m -74.04 -52.14 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 74.420000000000002 111.157 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -55.7 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 74.340000000000003 110.874 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.8 mt -57.45 -47.88 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -58.72 -48.63 80.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.349999999999994 110.977 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -52.4 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 74.349999999999994 110.888 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -54.83 -32.16 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.109999999999999 110.919 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -85.77 -21.73 52.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 52.43 112.55 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -75.21 -56.76 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 75.25 110.83 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.01 -28.64 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.4 t60 71.24 -68.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.129999999999995 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -86.19 177.05 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.907 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -159.86 142.64 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 75.450000000000003 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -98.28 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.519999999999996 110.96 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -82.06 176.05 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 73.140000000000001 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 75.430000000000007 110.836 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 55.42 111.129 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.15 -52.65 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.123 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.67 -40.75 84.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.969 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.3 mtm -71.21 -55.27 8.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.22 -52.88 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 63.1 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.08 -50.45 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.05 -51.7 56.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 45.34 112.457 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.51 -33.16 85.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.43 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.34 -51.94 15.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 63.23 111.174 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -55.13 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 63.43 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.34 -47.46 81.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 55.42 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.14 -49.07 79.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 62.33 110.898 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.835 0.35 . . . . 63.34 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -63.83 -12.48 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.837 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.7 mt -70.59 -32.37 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.2 110.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -59.93 -56.21 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 17.2 mmm -62.53 -48.82 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.9 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.7 84.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 72.53 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.9 mt -61.22 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 60.23 110.915 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 71.8 m -60.61 -44.66 96.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 75.22 111.168 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.66 -50.49 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 40.03 111.161 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.21 -50.57 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 62.3 111.187 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.661 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.62 -43.29 97.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 61.12 111.09 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.8 50.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.459 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.8 mt -59.59 -51.19 70.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 65.21 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.11 -52.07 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 75.43 111.142 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 650' ' ' ALA . 98.7 t -55.37 -36.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 60.01 111.104 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.39 -52.78 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.108 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.39 -39.92 80.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.54 110.898 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.41 -55.15 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 70.45 110.949 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.12 -53.05 62.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 55.33 110.919 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.52 -50.88 66.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.44 58.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.11 112.497 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.57 -32.83 84.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.642 -0.79 . . . . 73.25 112.439 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.1 m -73.74 -52.01 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 45.11 111.142 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -55.75 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.96 -46.91 81.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -59.85 -49.42 77.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.05 110.944 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -52.3 65.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.972 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -52.13 -53.82 38.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 71.04 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 C-N-CA 120.75 -0.738 . . . . 62.14 112.471 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 73.13 111.116 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.5 mt -66.7 -52.64 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.119 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.59 -41.24 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.849 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.07 -55.55 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.866 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -56.65 -53.73 54.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 53.53 110.904 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.5 mt -54.98 -49.28 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 64.15 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.87 -52.32 53.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 73.31 112.548 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.11 80.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 74.41 112.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 51.7 m -73.47 -53.81 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 72.21 111.139 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.6 -55.08 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.13 -50.58 72.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 65.51 110.915 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -57.6 -46.72 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.916 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 72.32 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.81 -12.57 36.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.82 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.9 mt -70.61 -32.34 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 53.11 110.871 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.0 -56.18 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 70.5 111.144 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -62.52 -48.96 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 71.11 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.46 83.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 61.04 111.104 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.5 mt -61.76 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.2 m -60.32 -43.56 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 62.35 111.105 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.57 -52.13 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 62.43 111.202 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.0 mt -59.01 -46.17 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.51 111.196 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -63.86 -38.95 93.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 60.35 111.086 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.1 -52.12 54.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.466 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 655' ' ' ILE . 23.5 mt -59.02 -44.71 91.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 70.02 110.882 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.43 -53.71 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.13 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 650' ' ' ALA . 91.9 t -55.04 -32.31 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.195 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.3 mt -66.91 -52.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 60.43 111.13 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.47 -40.6 83.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 70.03 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.8 mtm -71.79 -55.52 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 74.14 110.952 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.61 -53.85 52.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.64 -49.5 70.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.866 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.99 55.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 61.53 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.42 -31.86 80.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 73.5 112.447 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.5 m -73.93 -54.11 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 65.31 111.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -56.1 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.853 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.65 -50.06 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 74.14 110.907 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.17 -47.03 82.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -52.97 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 73.13 110.944 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -52.55 -37.78 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 65.45 112.482 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 72.51 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.14 -52.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 53.31 111.087 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.93 -40.72 85.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.2 mtm -71.09 -54.91 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 73.44 110.899 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.63 -53.16 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.02 -49.03 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.38 52.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 33.23 112.434 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.77 79.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 44.22 112.443 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.31 -51.05 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 62.52 111.147 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -54.98 40.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 74.52 110.886 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.96 -46.54 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.7 -49.05 79.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.788 0.328 . . . . 72.42 111.099 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.87 -12.35 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.3 mt -70.72 -32.3 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 63.25 110.902 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -56.21 24.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 71.34 111.12 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -62.58 -48.82 77.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.96 84.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 60.15 111.138 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.8 mt -61.13 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.1 110.92 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 72.3 m -60.42 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.66 -50.58 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 73.51 111.149 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.11 -50.43 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 65.54 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.33 111.121 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.06 -51.7 52.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 73.23 112.47 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' B' ' 655' ' ' ILE . 86.6 mt -59.6 -50.9 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 72.43 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.5 t -53.16 -51.95 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 64.32 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 650' ' ' ALA . 93.5 t -55.49 -36.42 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 35.43 111.119 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.31 -52.76 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 75.22 111.124 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.76 -39.85 82.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 44.5 mtm -72.28 -54.82 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 71.2 110.832 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.67 -53.27 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.918 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.26 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 74.14 112.518 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.61 -31.38 78.39 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.809 -0.71 . . . . 62.13 112.451 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.85 -51.2 17.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 73.25 111.095 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.68 -55.61 31.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.58 -46.11 84.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 63.03 110.932 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.43 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -52.46 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.946 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -52.2 -53.61 41.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 65.2 110.851 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 63.24 112.455 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.837 0.351 . . . . 65.21 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.19 -52.64 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 72.12 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.39 -52.9 63.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 35.02 110.877 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.06 -50.52 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 43.5 110.953 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.57 57.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 62.45 112.455 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.47 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 65.41 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.2 m -73.49 -53.81 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 74.34 111.148 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.14 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 61.41 110.903 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.46 -51.27 70.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.973 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.37 -46.2 80.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.22 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 73.44 110.905 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.785 0.326 . . . . 55.42 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -57.77 -16.02 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.91 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.448 ' O ' HD12 ' B' ' 646' ' ' LEU . 15.6 mt -68.62 -33.04 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.89 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.55 -55.69 31.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 74.24 111.224 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -62.68 -49.59 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.35 110.847 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 74.42 111.059 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.8 mt -61.35 -43.71 98.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.91 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.5 m -60.26 -44.36 95.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 60.34 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.66 -50.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.34 111.06 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.86 -50.89 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 74.33 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.57 -43.18 97.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.043 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 43.35 112.475 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.0 mt -59.59 -51.03 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 44.34 110.909 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 55.7 t -53.34 -52.31 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 53.15 111.14 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 97.3 t -55.11 -36.41 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 45.13 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.0 mt -67.37 -52.88 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 62.4 111.096 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.65 -39.7 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.841 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -72.47 -54.98 7.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 73.31 110.846 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.5 -52.97 63.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 74.45 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.6 -50.87 67.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.17 -51.32 59.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 54.45 112.452 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.18 -32.97 85.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 70.23 112.529 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -74.14 -54.13 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.77 0.319 . . . . 73.43 111.12 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.16 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -56.64 -50.97 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 63.54 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.21 -46.7 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 34.31 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -51.44 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -53.49 -32.13 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 70.5 110.897 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 74.11 112.44 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.12 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.51 111.133 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.94 -40.67 85.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.8 mtm -71.13 -54.96 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 61.1 110.915 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.65 -53.02 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 53.02 110.884 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.05 -49.1 72.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 71.22 110.931 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.5 52.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 44.21 112.479 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.81 79.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.482 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.44 -51.06 18.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 61.02 111.089 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -54.84 42.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 71.43 110.86 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.96 -46.5 85.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 63.45 110.926 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.23 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.814 0.34 . . . . 73.35 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -64.28 -12.11 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.816 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.487 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.6 mt -70.61 -32.46 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.91 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.94 -56.25 24.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 74.01 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -62.54 -48.75 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.86 84.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.105 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.487 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.4 mt -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 75.23 110.942 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 77.0 m -60.27 -44.61 95.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.69 -50.96 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 65.55 111.181 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.15 -50.24 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 61.12 111.123 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.78 -42.24 97.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 24.14 111.102 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.8 -51.92 52.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 71.12 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.9 mt -59.49 -50.4 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 72.3 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.55 -52.14 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.54 111.088 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.1 t -55.55 -36.15 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.148 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.5 mt -67.35 -52.84 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.15 111.114 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.7 -39.74 81.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.928 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.6 mtm -72.33 -54.97 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 65.11 110.81 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.55 -53.22 60.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.48 -49.46 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.38 52.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 72.22 112.469 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.38 78.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 51.32 112.481 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.5 m -73.87 -51.22 16.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 71.21 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -55.57 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.897 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.44 -46.19 83.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.945 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.38 -49.6 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.14 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -52.22 65.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.872 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -51.84 -53.62 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.79 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 64.42 112.493 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.855 0.36 . . . . 74.33 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.03 -52.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.51 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.57 -40.93 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.1 mtm -71.13 -55.41 8.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 70.31 110.949 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -56.96 -52.91 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.19 -50.11 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.3 110.903 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.28 59.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 53.11 112.519 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.55 -32.72 82.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 60.05 112.483 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.5 m -73.39 -51.6 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.54 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -54.92 38.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 65.34 110.92 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.35 -47.71 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 70.52 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.823 0.345 . . . . 61.14 111.105 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -12.48 36.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.486 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.3 mt -70.76 -32.54 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 64.5 110.883 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.87 -56.25 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 64.54 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -62.49 -48.95 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.859 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.02 83.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 22.32 111.109 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.486 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.1 mt -61.09 -43.66 98.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 64.21 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.7 m -60.15 -44.73 94.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.31 111.18 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.68 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.01 -50.27 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 73.13 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.99 -43.15 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 71.53 111.135 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.87 -51.9 50.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 72.01 112.499 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.5 mt -59.45 -51.03 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 73.55 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 52.5 t -53.05 -52.02 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.119 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 650' ' ' ALA . 95.2 t -55.35 -36.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.111 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 36.8 mt -67.23 -52.81 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.1 111.141 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.33 -40.05 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.34 -55.42 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 70.14 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -56.74 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.77 -50.44 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.1 60.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.837 -0.697 . . . . 45.33 112.485 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.2 81.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.664 -0.779 . . . . 61.1 112.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -74.09 -51.62 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 72.44 111.198 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -55.83 27.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 70.52 110.818 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.5 -47.42 81.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.879 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.31 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -52.2 66.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.918 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.27 -31.7 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.52 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 54.25 112.435 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.307 . . . . 74.34 111.12 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.11 -52.64 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.124 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.61 -40.93 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 54.01 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.17 -55.34 8.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 52.31 110.854 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.11 -53.0 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.21 110.909 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -55.06 -50.16 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 62.02 110.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -51.53 58.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 74.24 112.509 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.18 -32.81 83.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 53.3 112.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.45 -52.14 14.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 72.51 111.179 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.89 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.86 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.04 -48.42 80.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -58.92 -47.59 84.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 71.33 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 75.53 110.966 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.813 0.339 . . . . 54.43 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.93 -19.31 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.834 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.452 ' O ' HD12 ' B' ' 646' ' ' LEU . 13.7 mt -65.48 -33.6 76.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 61.12 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.7 m -59.54 -55.62 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.081 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.28 -49.87 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.882 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.99 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 35.32 111.063 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.452 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.7 mt -60.94 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.91 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 83.6 m -60.41 -44.59 95.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 74.41 111.108 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.61 -50.21 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.165 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -50.94 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 53.53 111.083 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.661 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.49 -43.28 97.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.111 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.61 -51.79 49.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 63.03 112.447 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' B' ' 655' ' ' ILE . 84.6 mt -59.74 -51.18 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 63.11 110.91 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.0 t -52.94 -52.34 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 60.54 111.111 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.9 t -55.33 -36.39 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 60.24 111.131 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.31 -52.8 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 72.04 111.165 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.41 -39.93 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.5 mtm -72.44 -55.22 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.875 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.1 mtm -57.08 -53.08 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 72.3 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.54 -50.65 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 52.52 110.949 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.18 60.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.22 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.41 112.42 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 54.9 m -74.0 -52.3 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 65.21 111.15 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.89 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 62.52 110.868 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.32 -47.96 80.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -58.77 -47.85 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -52.04 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 73.42 110.986 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -56.11 -30.22 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.904 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 74.5 112.525 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.705 0.288 . . . . 65.11 111.09 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.0 -52.8 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 52.43 111.176 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.74 -40.72 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.05 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -71.15 -55.33 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.12 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.4 mtm -57.21 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 62.12 110.885 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -54.95 -48.93 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 54.04 110.904 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.8 -52.96 49.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 63.3 112.453 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.74 79.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 62.13 112.523 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.3 m -73.36 -51.24 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 74.12 111.133 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -54.9 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 70.23 110.907 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.76 -46.64 84.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 70.3 110.941 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.76 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 72.4 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.907 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.83 0.348 . . . . 72.31 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -63.57 -12.79 35.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.854 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.46 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.2 mt -70.46 -32.41 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 70.2 110.921 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -59.99 -56.2 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 75.01 111.088 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 43.1 mmm -62.45 -49.19 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 60.23 110.899 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.4 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 64.22 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.8 mt -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 72.3 110.947 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 89.0 m -60.44 -44.27 95.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 54.54 111.13 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.27 -50.74 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 61.45 111.147 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.87 -50.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.51 111.101 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.96 -42.09 97.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 62.41 111.074 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.7 54.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 53.41 112.494 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 655' ' ' ILE . 88.0 mt -59.49 -50.1 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 71.01 110.937 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.23 -52.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 64.52 111.118 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 92.6 t -55.14 -36.17 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 40.41 111.176 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.2 mt -67.24 -53.08 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 71.33 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.46 -39.84 81.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 55.42 110.916 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -72.23 -55.37 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.883 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -57.2 -53.16 61.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 44.02 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.45 -49.42 70.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.83 -52.62 51.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 64.31 112.49 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.33 78.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 75.33 112.488 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.1 m -73.81 -51.37 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 71.51 111.092 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -55.58 32.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 75.13 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.29 -46.32 83.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.951 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.42 -49.65 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.924 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.86 67.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 73.54 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.08 -53.68 39.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 72.01 110.822 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 53.12 112.451 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 73.44 111.142 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.07 -52.8 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 64.23 111.147 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -40.78 84.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 65.41 110.897 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.9 mtm -71.23 -55.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.23 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 52.55 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.11 -50.64 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.22 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -50.74 64.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.462 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.44 -33.16 83.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.704 -0.76 . . . . 65.33 112.509 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.6 m -73.47 -53.56 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 74.04 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -54.99 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 52.4 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.37 -51.27 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.899 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.06 -45.0 79.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.933 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 73.04 110.95 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 54.11 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.86 -12.31 35.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.803 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.0 mt -70.81 -32.25 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 73.33 110.927 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.02 -56.1 25.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.54 111.232 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.71 -48.83 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.927 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.3 mt -61.65 -43.25 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.962 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 81.0 m -60.75 -44.16 97.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 72.33 111.132 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.41 -50.93 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 71.13 111.135 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.84 -49.51 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 63.03 111.116 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -61.29 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 53.31 111.122 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.23 -51.55 53.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 52.45 112.446 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' B' ' 655' ' ' ILE . 89.2 mt -59.47 -50.68 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 63.41 110.925 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.75 -51.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.43 111.151 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 650' ' ' ALA . 96.6 t -55.15 -36.5 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.13 111.084 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.4 mt -67.44 -52.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 62.3 111.1 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.45 -39.79 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.8 mtm -72.43 -55.21 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 71.55 110.924 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.07 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 44.25 110.818 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.68 -51.11 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -50.43 67.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 61.2 112.505 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.25 -32.67 82.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.477 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.29 -53.65 9.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 74.32 111.205 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.25 -56.13 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 64.54 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -50.83 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.908 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -55.68 -45.49 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 61.51 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -52.05 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.899 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -52.29 -31.69 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.818 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 74.31 112.455 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.351 . . . . 72.34 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.07 -52.7 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.51 111.136 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.8 -40.68 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.4 mtm -71.22 -55.24 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 64.1 110.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.23 -53.12 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 54.42 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.0 -49.61 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 63.22 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.01 -51.99 55.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 65.12 112.473 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.14 -32.59 82.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 53.35 112.513 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.34 -52.68 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 63.24 111.158 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.0 -55.14 34.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 74.32 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.22 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.44 -43.49 96.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 54.32 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.22 110.912 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.6 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.825 0.345 . . . . 65.5 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -64.26 -12.05 37.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 73.21 110.895 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.5 mt -70.75 -32.29 69.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.13 -56.27 23.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.054 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.63 -48.71 78.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.14 110.836 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.68 84.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 44.51 111.086 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.0 mt -61.25 -43.44 98.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 72.33 110.922 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 75.0 m -60.5 -44.67 95.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 71.21 111.107 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.53 -50.49 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.57 -50.36 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.112 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.658 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.83 -43.11 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.34 111.087 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.84 -51.89 50.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 64.32 112.46 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.4 mt -59.7 -51.12 71.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.842 0.354 . . . . 74.15 110.838 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.97 -52.16 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 71.22 111.127 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 650' ' ' ALA . 99.4 t -55.51 -36.37 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 65.4 111.09 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.31 -52.87 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 74.25 111.138 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.52 -39.82 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.44 -55.06 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.28 -53.2 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -54.53 -49.84 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 72.33 110.967 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.83 56.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 72.22 112.471 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.11 81.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 62.53 112.446 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.85 -52.73 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 73.32 111.098 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.9 -56.04 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.99 -47.63 80.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.954 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -60.04 -44.05 94.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.93 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.47 56.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -51.89 -38.27 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.54 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 72.43 112.52 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 73.43 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.84 -52.62 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.063 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.8 -41.07 85.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 37.2 mtm -70.99 -55.47 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 72.23 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.9 mtm -56.83 -53.78 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 64.23 110.829 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.1 mt -55.08 -48.58 73.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.16 -53.23 46.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 51.42 112.471 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.0 -31.96 81.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 53.34 112.457 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.44 -53.72 10.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 73.14 111.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -55.08 35.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 51.53 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.67 -49.5 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 72.43 110.963 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.72 -48.5 80.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.865 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.834 0.349 . . . . 61.5 111.059 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -64.14 -12.11 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 51.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.7 mt -70.78 -32.41 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 62.32 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.03 -56.14 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 63.41 111.161 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 78.5 mtm -62.6 -48.72 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.889 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.3 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.145 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.2 mt -61.91 -43.63 98.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 64.22 110.933 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.36 -43.63 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 71.23 111.1 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.4 -52.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.13 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 23.35 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.664 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -63.62 -39.68 94.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 62.32 111.153 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.47 -52.06 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 75.22 112.466 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' B' ' 655' ' ' ILE . 28.4 mt -58.95 -45.12 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 73.11 110.927 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 63.7 t -59.19 -53.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 54.01 111.134 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.5 t -54.92 -32.57 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.21 111.092 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' B' ' 652' ' ' LEU . 23.8 mt -66.84 -52.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.127 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.5 -40.59 83.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.931 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 36.9 mtm -71.76 -55.47 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 63.33 110.841 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.76 -54.05 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 70.5 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.929 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.03 48.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 62.33 112.501 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.04 -31.7 80.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 64.02 112.46 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 49.5 m -73.55 -54.05 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 74.2 111.204 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -55.97 24.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.926 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.01 -49.29 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 74.41 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -58.33 -48.69 79.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 72.53 110.925 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -52.54 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -53.35 -53.97 43.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.892 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 23.22 112.465 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.738 0.304 . . . . 70.11 111.087 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.97 -52.75 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.53 -40.92 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 52.44 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.14 -55.37 8.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.874 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.01 -53.13 61.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.768 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.01 -50.16 69.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 72.43 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.8 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.716 . . . . 62.44 112.486 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.07 -32.66 83.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 61.3 112.514 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.42 -51.55 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 72.34 111.127 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -55.0 39.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 62.43 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.55 -47.03 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -60.61 -48.77 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.321 . . . . 75.24 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -11.94 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.854 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.475 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.0 mt -70.59 -32.28 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 43.11 111.178 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -62.69 -48.87 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.829 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.47 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 52.42 111.099 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.475 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.7 mt -61.39 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 63.51 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.4 m -60.63 -44.79 95.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.44 111.129 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.65 -50.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 73.12 111.138 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.88 -50.49 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 62.22 111.148 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.74 -43.2 98.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.45 111.035 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.9 -51.75 51.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 64.43 112.461 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.9 mt -59.63 -51.09 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 51.55 110.942 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.9 t -53.15 -52.14 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.04 111.081 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 650' ' ' ALA . 99.8 t -55.2 -36.65 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 70.53 111.165 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.15 -52.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 63.25 111.072 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.34 -40.01 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.02 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.35 -55.36 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.51 110.851 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -56.9 -53.08 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.7 -50.48 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 55.54 110.941 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -51.54 57.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.04 112.453 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.41 82.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 73.11 112.524 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.0 m -73.83 -51.62 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 63.44 111.136 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -55.79 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 71.4 110.866 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.12 -46.69 82.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -60.17 -49.08 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 70.23 110.923 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -52.58 64.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 63.4 110.921 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.61 -54.01 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 72.24 112.526 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 73.42 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.66 -52.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.23 111.085 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.99 -40.72 85.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 54.9 mtm -71.16 -55.41 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 72.4 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 23.8 mtm -57.03 -53.42 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.859 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.0 -50.36 69.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 61.1 110.881 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.4 58.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 62.12 112.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.79 -33.3 85.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 51.2 112.507 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -73.46 -53.88 9.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 74.31 111.184 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -55.06 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.36 -51.27 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 53.41 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.67 -45.79 81.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.91 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.87 0.367 . . . . 75.3 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.27 -11.9 36.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.854 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 646' ' ' LEU . 5.6 mt -70.93 -32.86 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 55.53 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.49 -55.99 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.149 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.77 -49.3 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.888 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.9 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 22.33 111.071 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.2 mt -62.72 -43.4 98.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.959 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.4 m -60.38 -42.51 96.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 62.21 111.135 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.17 -52.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 63.41 111.075 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 649' ' ' ILE . . . . . 0.425 ' O ' HG23 ' B' ' 653' ' ' VAL . 60.9 mt -60.94 -44.47 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 74.04 111.13 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.649 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -65.43 -40.62 93.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -58.88 -52.13 55.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 51.34 112.514 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 655' ' ' ILE . 36.5 mt -58.95 -45.7 89.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.328 . . . . 55.21 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 649' ' ' ILE . 56.5 t -58.93 -53.19 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 63.31 111.052 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.649 HG23 ' O ' ' B' ' 650' ' ' ALA . 87.0 t -54.88 -32.91 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.145 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.0 mt -66.9 -52.99 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.097 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.65 -40.04 82.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 55.0 mtm -72.14 -55.41 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 23.6 mtm -56.98 -53.51 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 44.45 110.888 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.8 mt -54.49 -50.55 67.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 52.2 110.922 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.44 58.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 43.22 112.476 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.86 -32.65 83.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 54.34 112.457 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.6 m -73.94 -54.52 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.32 111.164 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -56.04 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 51.43 110.897 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.55 -50.8 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.875 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.57 -46.51 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 60.55 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 73.35 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -53.71 -32.79 53.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 53.41 110.911 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.666 -0.778 . . . . 75.14 112.511 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 73.02 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.03 -52.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 70.22 111.141 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.04 -40.61 85.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 61.33 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.9 mtm -71.17 -54.88 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.861 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.7 -53.08 62.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 62.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.08 -48.95 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.0 -52.54 51.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 62.42 112.46 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.86 79.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 62.44 112.533 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 48.1 m -73.32 -52.39 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 73.23 111.124 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -55.0 36.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.87 -49.09 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -58.27 -47.88 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.881 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 74.12 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.96 -14.32 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.836 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 646' ' ' LEU . 14.3 mt -70.84 -32.37 69.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 65.04 110.927 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.5 m -60.01 -55.97 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.142 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.65 -49.09 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.944 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.66 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.071 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.447 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.6 mt -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.917 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 82.6 m -60.35 -44.37 95.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.19 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.56 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 53.13 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.89 -50.56 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.064 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.59 -43.23 97.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.093 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 71.33 112.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 655' ' ' ILE . 84.0 mt -59.63 -51.26 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 73.45 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.4 t -52.96 -51.99 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.136 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 650' ' ' ALA . 98.3 t -55.61 -36.28 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 55.21 111.105 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.1 mt -67.31 -52.79 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.01 111.153 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.71 -39.76 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 52.33 110.929 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.0 mtm -72.39 -54.71 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.22 110.87 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.69 -53.24 60.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 64.22 110.851 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.52 -49.35 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.909 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.34 52.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 55.42 112.456 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.39 -31.3 78.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 55.42 112.518 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 48.7 m -74.06 -52.45 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 62.12 111.205 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.77 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.867 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.21 -48.63 78.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -58.27 -48.06 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.9 -52.17 66.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.916 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.37 -30.68 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.32 110.925 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 65.33 112.512 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 74.5 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 54.32 111.189 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.72 -40.82 84.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.935 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 49.1 mtm -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.27 -53.23 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.821 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.0 -49.27 71.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 61.53 110.922 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.04 54.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 63.13 112.409 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.07 79.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.761 -0.733 . . . . 71.31 112.449 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.4 m -73.31 -50.77 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 70.32 111.129 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.883 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.92 -45.73 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -62.22 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 72.44 110.96 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.754 0.311 . . . . 74.43 111.149 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.98 -12.23 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.03 110.825 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.489 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.9 mt -70.8 -32.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 64.35 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.97 -56.17 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 61.4 111.145 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 67.8 mtm -62.61 -48.7 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 63.12 110.865 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.74 84.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.489 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.2 mt -61.25 -43.42 98.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.9 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.3 m -60.44 -44.75 95.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.31 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.43 -50.45 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.084 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -50.94 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.114 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.675 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.6 -44.14 96.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.116 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.73 -51.73 46.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 63.34 112.539 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' B' ' 655' ' ' ILE . 84.2 mt -59.65 -51.48 69.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 75.23 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.4 t -52.7 -52.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.043 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 650' ' ' ALA . 63.0 t -55.55 -36.19 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.068 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.7 mt -67.26 -52.91 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.096 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.44 -39.94 81.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.934 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.8 mtm -72.45 -55.1 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 73.24 110.838 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.7 mtm -57.23 -53.16 61.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.872 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.65 -49.76 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.893 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.68 -51.61 57.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 71.14 112.489 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.83 -31.73 79.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 74.51 112.512 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.8 -50.72 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 61.15 111.112 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -55.83 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.66 -45.46 85.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 71.34 110.848 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.92 -46.16 90.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.972 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -53.21 60.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 65.14 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -53.11 -53.35 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 70.33 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 73.25 112.519 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.827 0.346 . . . . 52.43 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.46 -46.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.51 111.147 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.91 -42.56 99.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.957 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 48.4 mtm -71.24 -45.98 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 71.0 110.798 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.07 -55.25 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 63.31 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.87 -46.05 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 54.04 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.15 -53.57 43.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 63.2 112.484 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.55 76.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 43.02 112.471 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.4 m -73.28 -53.86 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 74.33 111.137 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -55.03 31.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.42 . . . . 72.45 110.845 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.89 -50.39 73.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 64.12 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -57.05 -46.05 82.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 62.43 110.939 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.833 0.349 . . . . 73.22 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -12.48 37.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.82 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.482 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.9 mt -70.86 -32.57 69.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -62.51 -48.99 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 65.11 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.99 -41.71 83.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 65.1 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.482 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.7 mt -61.38 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 74.14 110.962 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.9 m -60.51 -44.25 96.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 74.14 111.141 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.11 -50.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 64.13 111.088 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.82 -50.07 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 73.52 111.164 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.656 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -62.38 -41.0 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.52 111.044 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.89 -51.6 54.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.798 -0.715 . . . . 54.23 112.464 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' B' ' 655' ' ' ILE . 65.1 mt -61.29 -50.49 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 74.14 110.867 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.45 -49.84 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 650' ' ' ALA . 88.7 t -58.55 -37.32 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.22 111.126 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' B' ' 652' ' ' LEU . 40.0 mt -66.73 -46.61 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 72.42 111.088 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -62.7 -41.83 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 64.52 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.3 mtm -72.22 -45.78 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 55.22 110.943 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 658' ' ' MET . . . . . 0.41 ' HE2' HG12 ' B' ' 654' ' ' VAL . 24.6 mtm -65.17 -55.59 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 54.02 110.887 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -53.96 -46.47 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.946 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.34 -53.73 41.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 53.21 112.483 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.59 75.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 71.3 112.515 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.19 -54.61 7.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 53.15 111.132 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.87 -55.49 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.901 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.23 -50.09 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 73.01 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.83 -46.3 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.935 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -52.42 64.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.53 -31.74 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 62.53 110.809 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 55.52 112.48 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 75.12 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.08 -52.71 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 74.24 111.126 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.84 -40.62 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -71.17 -55.1 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 63.05 110.894 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.45 -52.92 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 73.24 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -54.97 -50.55 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.88 55.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 74.11 112.454 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.19 85.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 71.13 112.494 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -73.39 -52.17 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 74.43 111.152 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -55.07 38.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 71.1 110.85 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.16 -47.38 81.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 65.12 110.934 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.17 -49.59 77.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 72.23 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.877 0.37 . . . . 71.32 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -64.03 -12.4 38.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 62.32 110.885 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.481 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.8 mt -70.77 -32.41 69.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 62.54 110.867 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.95 -56.22 24.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 64.31 111.11 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -62.59 -48.79 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 64.13 110.797 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.85 84.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 54.53 111.101 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.3 mt -61.11 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.24 -44.7 95.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.097 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.54 -50.38 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.093 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.91 -50.9 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 54.54 111.183 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.653 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.5 -42.88 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.063 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.04 -51.78 51.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 75.03 112.449 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 655' ' ' ILE . 83.7 mt -59.81 -50.95 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 72.3 110.908 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.19 -52.39 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 52.33 111.104 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 650' ' ' ALA . 96.9 t -55.25 -36.4 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.23 111.104 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.34 -52.96 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 62.31 111.125 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.57 -39.61 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.3 mtm -72.6 -54.93 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 64.2 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.49 -52.89 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 64.03 110.861 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.65 -50.96 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.14 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.02 -51.56 57.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 73.41 112.443 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.29 -33.0 85.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.783 -0.723 . . . . 63.23 112.44 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.72 -52.27 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 51.41 111.151 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -55.85 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 62.41 110.769 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.82 -46.85 81.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.3 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -59.89 -49.76 76.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.913 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -52.27 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.879 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.49 -53.91 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.21 110.9 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 73.42 112.493 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 72.42 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.05 -52.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.202 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.73 -40.72 84.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.18 -55.53 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.859 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.9 mtm -56.93 -53.12 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 75.33 110.906 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.13 -49.68 71.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.51 110.932 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.07 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 64.32 112.509 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.28 -32.23 81.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.815 -0.707 . . . . 53.44 112.455 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.5 m -73.49 -51.56 16.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 73.33 111.135 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -54.89 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.7 -47.27 82.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 62.44 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -60.17 -48.84 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 75.15 110.927 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.872 0.367 . . . . 73.12 111.156 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.52 -12.81 35.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.803 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.461 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.7 mt -70.85 -32.25 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 63.22 110.904 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.0 -55.95 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 73.4 111.131 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.9 -48.94 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 75.32 110.925 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.97 83.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.094 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.1 mt -62.11 -43.07 99.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.955 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 86.9 m -60.92 -43.71 98.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 73.3 111.146 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.52 -51.27 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.32 111.109 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.07 -48.32 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 53.52 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.67 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -62.07 -42.5 99.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.06 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.38 56.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.766 -0.731 . . . . 73.4 112.423 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' B' ' 655' ' ' ILE . 93.1 mt -59.15 -49.84 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 73.31 110.951 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.69 -51.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.107 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 650' ' ' ALA . 86.9 t -55.36 -36.28 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 55.22 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 652' ' ' LEU . 36.2 mt -67.41 -53.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.064 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.4 -39.86 80.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.883 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.9 mtm -72.39 -55.39 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.41 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.5 mtm -56.92 -53.18 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.872 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -54.71 -50.12 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 42.53 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.78 56.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 63.4 112.489 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 51.51 112.459 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.4 m -73.91 -51.68 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 64.21 111.174 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.29 -55.64 30.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.885 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.53 -46.71 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.03 110.869 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.89 -49.05 79.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 62.11 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -52.53 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -52.45 -53.92 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 53.23 110.855 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 53.3 112.501 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.758 0.313 . . . . 62.21 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.73 -52.76 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 61.41 111.152 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.72 -41.01 85.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 74.21 110.917 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.6 mtm -71.07 -55.53 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 60.13 110.838 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.6 mtm -56.81 -53.74 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.809 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.9 mt -54.91 -49.25 71.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 61.2 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.73 50.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 62.54 112.499 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.98 -32.24 81.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 43.34 112.541 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.37 -53.82 9.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 60.54 111.083 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -55.13 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 63.31 110.889 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.6 mt -56.53 -48.98 76.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.04 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -58.97 -49.26 78.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.959 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 70.01 110.947 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.836 0.351 . . . . 74.24 111.146 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -60.23 -14.94 20.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 70.44 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.446 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.8 mt -69.71 -33.01 71.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.872 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.8 m -59.62 -55.72 30.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.31 111.199 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.41 -49.43 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 61.24 110.985 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.3 82.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 53.5 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.446 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.6 mt -62.07 -44.09 97.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.12 110.937 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 84.9 m -59.78 -42.88 94.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 74.15 111.142 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.44 -52.5 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 74.13 111.173 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 649' ' ' ILE . . . . . 0.413 ' O ' HG23 ' B' ' 653' ' ' VAL . 62.3 mt -60.01 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 60.12 111.194 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.652 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -64.78 -39.5 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 71.12 111.07 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.79 -51.94 55.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 74.52 112.467 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.7 ' HA ' HD12 ' B' ' 655' ' ' ILE . 26.4 mt -59.26 -45.13 92.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.31 110.919 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 653' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 649' ' ' ILE . 60.1 t -59.22 -53.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 650' ' ' ALA . 84.8 t -55.06 -32.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 72.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.6 mt -66.96 -52.89 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 64.05 111.153 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.56 -40.51 83.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.893 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.77 -55.47 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.5 mtm -56.8 -53.8 53.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 61.1 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.65 -49.37 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.58 51.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 72.44 112.489 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.91 -31.99 81.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 74.04 112.493 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.3 m -73.68 -53.92 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 73.14 111.073 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -55.93 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 64.11 110.823 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.16 -48.37 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 52.23 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -58.68 -49.39 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.15 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -52.6 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 71.24 110.877 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -52.14 -53.99 36.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.84 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 71.54 112.439 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.782 0.325 . . . . 63.53 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.03 -52.75 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.164 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.87 -40.68 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.904 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.1 mtm -71.22 -55.02 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 63.14 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.5 -53.12 61.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 62.44 110.836 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -55.0 -49.23 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.51 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.32 53.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 71.02 112.486 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.86 79.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 73.41 112.474 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.4 m -73.46 -51.99 15.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 71.04 111.134 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -54.95 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.875 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.87 -48.5 79.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -58.87 -48.28 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.891 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 64.23 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.906 0.384 . . . . 71.24 111.129 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -11.64 37.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.903 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.48 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.8 mt -70.74 -32.39 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.925 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.0 m -60.03 -56.35 22.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 65.13 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -62.44 -48.71 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.898 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.88 84.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 62.43 111.159 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 646' ' ' LEU . . . . . 0.48 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.5 mt -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.877 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.6 m -60.64 -44.51 96.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.01 111.116 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.78 -50.62 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.164 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.17 -50.31 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.13 111.133 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.86 -43.41 98.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.53 111.088 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.73 -51.76 50.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 34.23 112.477 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 652' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.9 mt -59.59 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 55.42 110.912 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.99 -51.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 53.2 111.121 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 97.1 t -55.54 -36.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 75.41 111.159 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.3 -52.83 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.45 111.151 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.67 -39.77 81.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 54.04 110.859 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -72.45 -54.98 7.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.41 -53.14 61.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 61.33 110.952 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.65 -49.61 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 62.12 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.07 54.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 61.32 112.515 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.55 79.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 74.3 112.509 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.0 m -74.04 -52.14 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 72.34 111.157 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -55.7 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.874 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.8 mt -57.45 -47.88 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -58.72 -48.63 80.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.977 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -52.4 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 72.13 110.888 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -54.83 -32.16 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 71.24 110.919 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 33.23 112.55 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 73.32 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -179.26 -54.58 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.698 -0.763 . . . . 70.35 112.496 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.4 -20.09 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.03 110.882 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 84.8 m -77.32 -31.37 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 74.23 111.082 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -63.87 -13.53 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 73.02 110.865 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.8 mt -70.21 -32.38 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 54.43 110.857 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.29 -54.07 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 64.02 111.134 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 16.7 mmm -63.81 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 60.23 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.58 84.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 72.12 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.9 mt -61.15 -43.31 99.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.894 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 81.1 m -60.9 -44.57 96.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 62.53 111.089 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.77 -50.39 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 71.42 111.183 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.34 -50.37 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.12 111.161 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.71 -43.4 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 51.13 111.048 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.94 -51.03 56.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 75.25 112.516 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.521 HD13 HG23 ' B' ' 653' ' ' VAL . 85.5 mt -59.97 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 75.21 110.881 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.509 HG23 HD13 ' B' ' 652' ' ' LEU . 55.0 t -53.11 -52.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.34 111.092 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 650' ' ' ALA . 98.6 t -55.46 -36.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 55.42 111.129 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.7 mt -67.15 -52.65 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.123 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.67 -40.75 84.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.969 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.3 mtm -71.21 -55.27 8.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.22 -52.88 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 63.1 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.08 -50.45 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.05 -51.7 56.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 45.34 112.457 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.51 -33.16 85.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.43 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.34 -51.94 15.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 63.23 111.174 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -55.13 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 63.43 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.34 -47.46 81.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 55.42 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.14 -49.07 79.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -52.13 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 62.33 110.898 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.18 -53.67 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 71.44 110.843 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.17 99.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 63.2 112.515 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -54.28 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 63.41 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -67.27 -25.98 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -46.28 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.44 110.777 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.2 130.28 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 71.45 110.899 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -84.78 -29.86 25.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.03 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.19 165.88 24.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 75.4 110.905 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 158.15 31.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.869 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 74.2 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 138.21 97.92 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 50.54 112.472 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 92.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 75.3 110.942 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.4 m -129.06 -50.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 63.34 111.14 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -63.83 -12.48 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.837 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.7 mt -70.59 -32.37 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.2 110.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -59.93 -56.21 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 17.2 mmm -62.53 -48.82 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.9 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.7 84.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 72.53 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.9 mt -61.22 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 60.23 110.915 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 71.8 m -60.61 -44.66 96.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 75.22 111.168 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.66 -50.49 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 40.03 111.161 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.21 -50.57 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 62.3 111.187 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.661 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.62 -43.29 97.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 61.12 111.09 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.8 50.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.459 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.509 HD13 HG23 ' A' ' 653' ' ' VAL . 85.8 mt -59.59 -51.19 70.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 65.21 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 652' ' ' LEU . 54.2 t -53.11 -52.07 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 75.43 111.142 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 650' ' ' ALA . 98.7 t -55.37 -36.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 60.01 111.104 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.39 -52.78 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.108 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.39 -39.92 80.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.54 110.898 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.41 -55.15 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 70.45 110.949 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.12 -53.05 62.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 55.33 110.919 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.52 -50.88 66.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.44 58.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.11 112.497 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.57 -32.83 84.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.642 -0.79 . . . . 73.25 112.439 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.1 m -73.74 -52.01 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 45.11 111.142 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -55.75 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.96 -46.91 81.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -59.85 -49.42 77.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.05 110.944 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -52.3 65.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.972 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -52.13 -53.82 38.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 71.04 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.75 99.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.75 -0.738 . . . . 62.14 112.471 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -61.36 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 70.53 110.871 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.55 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -56.73 -27.97 60.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -52.39 138.17 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -53.4 164.85 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 64.54 110.782 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -90.86 159.27 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.861 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -126.65 45.22 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.838 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 72.44 110.839 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 12.0 mtm . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.794 0.331 . . . . 51.41 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 129.28 99.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 61.3 112.493 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -117.46 -20.54 9.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.15 110.873 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 87.3 m -76.95 -31.39 56.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 54.01 111.087 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -63.7 -13.72 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 74.42 110.852 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 646' ' ' LEU . 10.0 mt -70.23 -32.4 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 62.4 110.921 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.26 -54.08 50.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 72.1 111.127 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 15.5 mmt -63.79 -49.22 73.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 64.13 110.907 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 61.32 111.084 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.5 mt -61.68 -43.75 98.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.924 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 89.2 m -60.4 -43.51 96.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 75.45 111.104 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.44 -52.33 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.34 111.146 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.99 -45.91 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 63.13 111.15 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -63.62 -39.05 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 73.44 111.077 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.41 -51.11 60.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 33.24 112.459 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.707 ' HA ' HD12 ' A' ' 655' ' ' ILE . 24.4 mt -59.55 -44.74 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 74.15 110.879 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' B' ' 652' ' ' LEU . 57.0 t -59.48 -53.54 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 72.01 111.102 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 650' ' ' ALA . 93.5 t -55.13 -32.6 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.116 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 652' ' ' LEU . 24.5 mt -66.7 -52.64 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.119 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.59 -41.24 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.849 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.07 -55.55 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.866 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -56.65 -53.73 54.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 53.53 110.904 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.5 mt -54.98 -49.28 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 64.15 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.87 -52.32 53.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 73.31 112.548 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.11 80.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 74.41 112.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 51.7 m -73.47 -53.81 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 72.21 111.139 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.6 -55.08 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.13 -50.58 72.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 65.51 110.915 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -57.6 -46.72 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.916 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -52.15 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -52.23 -37.06 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.3 110.881 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -78.11 -57.59 3.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 75.41 112.45 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -27.22 18.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.928 0.394 . . . . 74.12 110.886 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -25.81 17.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.863 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -108.6 150.01 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.88 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -114.02 113.07 24.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.918 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -89.62 130.88 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.25 110.844 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -69.69 -54.82 12.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 12.6 m170 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.949 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.877 0.37 . . . . 73.35 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 128.1 83.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 23.33 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.24 92.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 74.32 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.6 m -130.35 -50.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 72.32 111.17 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.81 -12.57 36.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.82 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.9 mt -70.61 -32.34 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 53.11 110.871 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.0 -56.18 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 70.5 111.144 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -62.52 -48.96 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 71.11 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.46 83.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 61.04 111.104 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.5 mt -61.76 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.2 m -60.32 -43.56 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 62.35 111.105 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.57 -52.13 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 62.43 111.202 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.0 mt -59.01 -46.17 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.51 111.196 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -63.86 -38.95 93.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 60.35 111.086 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.1 -52.12 54.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.466 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 655' ' ' ILE . 23.5 mt -59.02 -44.71 91.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 70.02 110.882 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 652' ' ' LEU . 59.3 t -59.43 -53.71 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.13 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 650' ' ' ALA . 91.9 t -55.04 -32.31 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.195 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.3 mt -66.91 -52.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 60.43 111.13 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.47 -40.6 83.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 70.03 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.8 mtm -71.79 -55.52 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 74.14 110.952 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.61 -53.85 52.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.64 -49.5 70.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.866 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.99 55.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 61.53 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.42 -31.86 80.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 73.5 112.447 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.5 m -73.93 -54.11 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 65.31 111.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -56.1 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.853 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.65 -50.06 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 74.14 110.907 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.17 -47.03 82.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -52.97 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 73.13 110.944 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -52.55 -37.78 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.3 -35.39 37.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 65.45 112.482 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -60.08 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 75.41 110.891 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -120.59 69.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 75.4 110.888 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -70.27 -42.76 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.02 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -54.66 -50.19 68.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.819 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 63.34 110.847 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 -169.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 53.24 110.874 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.24 89.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.04 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 71.24 110.835 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.756 0.312 . . . . 70.45 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 92.31 101.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 55.14 112.478 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -117.56 -20.19 9.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 61.33 110.893 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 95.7 m -77.36 -31.15 54.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.12 111.185 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.91 -13.69 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 75.53 110.798 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.5 mt -70.11 -32.38 70.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 54.11 110.971 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.24 -54.08 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 65.02 111.153 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -63.71 -49.27 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.81 84.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.8 mt -60.98 -43.44 98.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.01 110.922 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 78.1 m -60.62 -44.77 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 72.02 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.6 -50.66 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 62.54 111.16 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.2 -50.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 74.04 111.112 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.75 -43.31 98.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.054 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.15 -51.1 56.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.812 -0.708 . . . . 60.42 112.472 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.525 HD13 HG23 ' B' ' 653' ' ' VAL . 86.1 mt -59.81 -50.94 71.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 72.11 110.891 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.516 HG23 HD13 ' B' ' 652' ' ' LEU . 53.9 t -53.14 -51.95 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.31 111.081 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 650' ' ' ALA . 91.8 t -55.66 -36.4 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.51 111.182 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.7 mt -67.14 -52.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 53.31 111.087 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.93 -40.72 85.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.2 mtm -71.09 -54.91 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 73.44 110.899 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.63 -53.16 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.02 -49.03 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.38 52.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 33.23 112.434 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.77 79.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 44.22 112.443 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.31 -51.05 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 62.52 111.147 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -54.98 40.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 74.52 110.886 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.96 -46.54 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.7 -49.05 79.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -52.15 65.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.865 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -51.99 -53.62 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 73.14 110.965 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.11 99.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 64.51 112.517 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.1 35.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.335 . . . . 72.13 110.917 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -67.04 -39.44 86.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.0 -32.73 55.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.816 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 174.0 9.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.288 -0.415 . . . . 71.35 110.789 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -91.96 123.39 35.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.835 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -132.72 130.27 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.14 -29.75 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.11 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.824 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 34.9 ttm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 71.35 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 173.17 85.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 64.22 112.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.61 92.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.374 . . . . 65.43 110.847 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.7 m -129.49 -50.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.099 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.87 -12.35 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.3 mt -70.72 -32.3 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 63.25 110.902 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -56.21 24.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 71.34 111.12 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -62.58 -48.82 77.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.96 84.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 60.15 111.138 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.8 mt -61.13 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.1 110.92 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 72.3 m -60.42 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.66 -50.58 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 73.51 111.149 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.11 -50.43 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 65.54 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.33 111.121 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.06 -51.7 52.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 73.23 112.47 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 653' ' ' VAL . 86.6 mt -59.6 -50.9 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 72.43 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.525 HG23 HD13 ' A' ' 652' ' ' LEU . 53.5 t -53.16 -51.95 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 64.32 111.138 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 650' ' ' ALA . 93.5 t -55.49 -36.42 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 35.43 111.119 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.31 -52.76 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 75.22 111.124 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.76 -39.85 82.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 44.5 mtm -72.28 -54.82 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 71.2 110.832 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.67 -53.27 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.918 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.26 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 74.14 112.518 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.61 -31.38 78.39 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.809 -0.71 . . . . 62.13 112.451 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.85 -51.2 17.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 73.25 111.095 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.68 -55.61 31.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.58 -46.11 84.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 63.03 110.932 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.43 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -52.46 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.946 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -52.2 -53.61 41.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 65.2 110.851 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.33 99.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 63.24 112.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.54 110.934 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -117.94 68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.901 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -51.84 -37.97 54.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.909 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -92.45 99.79 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 74.11 110.923 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -149.04 -64.29 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.828 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 60.78 35.44 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 74.11 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 13.7 m80 71.4 -70.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 63.03 110.819 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 71.22 110.862 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 27.0 mtt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 75.45 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.51 144.68 8.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.04 112.51 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -123.65 -33.92 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 72.32 110.93 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 91.4 m -75.14 -34.18 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 62.31 111.22 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -59.2 -17.5 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 53.25 110.828 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 646' ' ' LEU . 14.8 mt -68.41 -33.0 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 75.55 110.993 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.83 -53.98 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 54.44 111.167 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -63.59 -49.96 71.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.856 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.44 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 22.3 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 642' ' ' LEU . 8.0 mt -61.28 -43.82 98.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 62.31 110.903 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 89.9 m -60.37 -44.39 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 65.31 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.7 -50.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 72.11 111.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.05 -50.65 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 75.24 111.098 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.48 -43.35 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 64.21 111.139 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.14 55.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 55.14 112.501 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.519 HD13 HG23 ' B' ' 653' ' ' VAL . 84.8 mt -59.87 -50.83 72.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 70.23 110.906 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.504 HG23 HD13 ' B' ' 652' ' ' LEU . 55.8 t -53.24 -52.38 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 63.12 111.194 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 650' ' ' ALA . 98.1 t -55.2 -36.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 65.21 111.141 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.5 mt -67.19 -52.64 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 72.12 111.123 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.39 -52.9 63.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 35.02 110.877 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.06 -50.52 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 43.5 110.953 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.57 57.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 62.45 112.455 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.47 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 65.41 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.2 m -73.49 -53.81 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 74.34 111.148 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.14 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 61.41 110.903 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.46 -51.27 70.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.973 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.37 -46.2 80.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.22 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -51.43 69.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 73.44 110.905 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -53.59 -32.61 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.04 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.81 -57.84 2.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 72.45 112.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -30.97 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 70.03 110.894 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -59.75 -66.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 73.23 110.903 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -54.05 -46.08 71.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.21 110.81 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -62.04 142.2 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.4 110.834 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -101.87 101.7 12.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.823 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -40.83 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.852 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -59.35 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.935 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.811 0.339 . . . . 51.05 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -169.01 94.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 55.41 112.528 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.29 93.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 64.22 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 27.8 p -135.52 -58.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 55.42 111.192 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -57.77 -16.02 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.91 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.448 ' O ' HD12 ' B' ' 646' ' ' LEU . 15.6 mt -68.62 -33.04 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.89 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.55 -55.69 31.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 74.24 111.224 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -62.68 -49.59 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.35 110.847 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 74.42 111.059 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.8 mt -61.35 -43.71 98.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.91 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.5 m -60.26 -44.36 95.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 60.34 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.66 -50.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.34 111.06 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.86 -50.89 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 74.33 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.57 -43.18 97.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.043 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 43.35 112.475 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 653' ' ' VAL . 85.0 mt -59.59 -51.03 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 44.34 110.909 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 652' ' ' LEU . 55.7 t -53.34 -52.31 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 53.15 111.14 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 97.3 t -55.11 -36.41 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 45.13 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.0 mt -67.37 -52.88 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 62.4 111.096 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.65 -39.7 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.841 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -72.47 -54.98 7.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 73.31 110.846 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.5 -52.97 63.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 74.45 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.6 -50.87 67.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.17 -51.32 59.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 54.45 112.452 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.18 -32.97 85.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 70.23 112.529 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -74.14 -54.13 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.77 0.319 . . . . 73.43 111.12 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.16 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -56.64 -50.97 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 63.54 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.21 -46.7 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 34.31 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -51.44 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -53.49 -32.13 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 70.5 110.897 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.83 -57.91 2.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 74.11 112.44 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -31.01 17.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.335 . . . . 63.52 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -60.52 -50.63 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 63.43 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -63.72 -40.17 96.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.855 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -81.17 70.7 8.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.882 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -61.88 149.36 40.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 70.12 110.845 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -126.29 161.9 26.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.775 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -110.55 -177.57 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 73.1 110.814 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 29.3 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.906 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 13.7 mmt . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.819 0.342 . . . . 63.3 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -132.98 24.81 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 71.21 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 62.14 15.23 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 74.24 110.844 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m -104.31 -34.01 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.22 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -64.4 -13.01 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 646' ' ' LEU . 8.8 mt -70.34 -32.42 70.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.93 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.29 -54.01 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 52.41 111.141 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.74 -49.11 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 74.21 110.833 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 41.53 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.4 mt -61.03 -43.75 98.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.901 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.1 m -60.3 -44.51 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 64.32 111.111 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.4 t -59.81 -50.99 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.31 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.14 -50.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 65.44 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.85 -42.25 97.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 64.4 111.073 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.05 58.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.46 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.524 HD13 HG23 ' B' ' 653' ' ' VAL . 85.5 mt -59.88 -50.42 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.815 0.34 . . . . 64.4 110.896 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.515 HG23 HD13 ' B' ' 652' ' ' LEU . 54.6 t -53.53 -52.07 36.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.23 111.147 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 650' ' ' ALA . 94.7 t -55.55 -36.43 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.12 111.12 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.3 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.51 111.133 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.94 -40.67 85.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.8 mtm -71.13 -54.96 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 61.1 110.915 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.65 -53.02 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 53.02 110.884 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.05 -49.1 72.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 71.22 110.931 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.5 52.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 44.21 112.479 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.81 79.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.482 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.44 -51.06 18.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 61.02 111.089 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -54.84 42.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 71.43 110.86 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.96 -46.5 85.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 63.45 110.926 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -52.0 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.23 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -51.8 -53.71 36.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.54 110.809 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.05 99.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 55.2 112.554 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 mmm-85 -52.0 -57.25 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 62.34 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -64.43 -35.33 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 61.32 110.833 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.18 -39.73 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -89.52 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 4.7 t60 52.07 43.11 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.23 110.848 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -85.93 -26.09 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.51 110.912 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -75.51 -54.71 6.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.825 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 64.05 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 4.0 mmm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.771 0.319 . . . . 74.13 110.965 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -165.03 -92.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 74.52 112.498 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.71 91.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 70.33 110.873 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 90.7 m -132.44 -50.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 73.35 111.192 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -64.28 -12.11 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.816 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.487 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.6 mt -70.61 -32.46 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.91 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.94 -56.25 24.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 74.01 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -62.54 -48.75 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.86 84.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.105 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.487 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.4 mt -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 75.23 110.942 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 77.0 m -60.27 -44.61 95.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.69 -50.96 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 65.55 111.181 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.15 -50.24 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 61.12 111.123 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.78 -42.24 97.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 24.14 111.102 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.8 -51.92 52.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 71.12 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.9 mt -59.49 -50.4 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 72.3 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.524 HG23 HD13 ' A' ' 652' ' ' LEU . 53.4 t -53.55 -52.14 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.54 111.088 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.1 t -55.55 -36.15 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.148 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.5 mt -67.35 -52.84 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.15 111.114 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.7 -39.74 81.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.928 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.6 mtm -72.33 -54.97 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 65.11 110.81 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.55 -53.22 60.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.48 -49.46 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.38 52.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 72.22 112.469 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.38 78.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 51.32 112.481 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.5 m -73.87 -51.22 16.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 71.21 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -55.57 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.897 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.44 -46.19 83.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.945 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.38 -49.6 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.14 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -52.22 65.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.872 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -51.84 -53.62 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.79 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.12 -40.07 98.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 64.42 112.493 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -53.1 -58.18 7.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 72.12 110.847 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -69.07 -32.95 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.837 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -85.62 56.26 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 61.21 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -175.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 63.35 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -117.61 49.72 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 74.1 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 44.5 m80 57.21 82.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 65.44 110.896 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -87.74 135.56 33.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.34 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.832 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.839 0.352 . . . . 73.55 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.14 139.75 7.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 64.23 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.95 -14.43 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 75.42 110.888 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 92.9 m -77.12 -30.93 55.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 73.11 111.095 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -13.46 46.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.843 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 646' ' ' LEU . 8.3 mt -70.45 -32.6 70.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 61.34 110.952 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.1 -54.18 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 75.54 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -63.61 -49.21 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.23 110.894 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.81 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 32.51 111.086 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.1 mt -60.94 -43.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 65.11 110.948 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.37 -44.68 95.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 64.03 111.189 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.424 . . . . 64.42 111.157 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.15 -50.02 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.55 111.128 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.53 111.07 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.98 57.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 74.24 112.41 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.524 HD13 HG23 ' B' ' 653' ' ' VAL . 85.0 mt -59.86 -50.94 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.823 0.344 . . . . 54.53 110.941 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.516 HG23 HD13 ' B' ' 652' ' ' LEU . 53.8 t -53.0 -52.03 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.101 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 650' ' ' ALA . 96.5 t -55.48 -36.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.115 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 652' ' ' LEU . 36.4 mt -67.03 -52.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.51 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.57 -40.93 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.1 mtm -71.13 -55.41 8.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 70.31 110.949 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -56.96 -52.91 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.19 -50.11 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.3 110.903 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.28 59.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 53.11 112.519 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.55 -32.72 82.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 60.05 112.483 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.5 m -73.39 -51.6 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.54 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -54.92 38.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 65.34 110.92 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.35 -47.71 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -52.15 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 70.52 110.883 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -55.27 -32.46 62.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -85.07 -22.91 51.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 72.43 112.475 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -73.3 -46.94 46.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 64.32 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.71 -40.49 95.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -60.96 -33.99 74.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.174 -0.466 . . . . 75.5 110.808 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -64.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 53.31 110.825 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 121.71 35.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -76.23 110.97 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 63.05 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 157.98 42.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.834 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 4.2 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.905 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.767 0.317 . . . . 64.45 110.881 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -131.86 -95.61 0.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 74.5 112.416 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 54.75 91.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 73.44 110.83 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 97.6 m -141.27 -50.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 61.14 111.105 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -12.48 36.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.486 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.3 mt -70.76 -32.54 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 64.5 110.883 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.87 -56.25 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 64.54 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -62.49 -48.95 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.859 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.02 83.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 22.32 111.109 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.486 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.1 mt -61.09 -43.66 98.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 64.21 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.7 m -60.15 -44.73 94.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.31 111.18 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.68 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.01 -50.27 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 73.13 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.99 -43.15 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 71.53 111.135 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.87 -51.9 50.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 72.01 112.499 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 653' ' ' VAL . 85.5 mt -59.45 -51.03 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 73.55 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.524 HG23 HD13 ' A' ' 652' ' ' LEU . 52.5 t -53.05 -52.02 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.119 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 650' ' ' ALA . 95.2 t -55.35 -36.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.111 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 36.8 mt -67.23 -52.81 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.1 111.141 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.33 -40.05 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.34 -55.42 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 70.14 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -56.74 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.77 -50.44 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.1 60.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.837 -0.697 . . . . 45.33 112.485 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.2 81.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.664 -0.779 . . . . 61.1 112.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -74.09 -51.62 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 72.44 111.198 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -55.83 27.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 70.52 110.818 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.5 -47.42 81.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.879 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.31 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -52.2 66.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.918 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.27 -31.7 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.52 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.07 -57.76 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 54.25 112.435 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -30.91 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 73.2 110.893 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -71.8 -42.48 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.829 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.1 t60 71.14 -68.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 63.11 110.848 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -99.37 135.12 41.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.15 110.912 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.44 175.17 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 54.11 110.842 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -129.6 25.96 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 42.2 m80 52.53 82.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.03 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 74.2 110.869 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.841 0.353 . . . . 55.4 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.47 110.54 3.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 72.04 112.539 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' ARG . . . . . 0.782 ' HA ' HD12 ' A' ' 642' ' ' LEU . 46.9 mtt180 -116.1 -19.61 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 74.34 110.9 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 70.6 p -86.41 -48.71 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.082 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -55.34 -18.72 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.871 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 639' ' ' ARG . 14.3 mt -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.901 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.9 m -59.75 -53.87 52.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 75.03 111.196 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 10.5 mmt -63.37 -50.13 71.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 54.32 110.845 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.78 82.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.25 111.194 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 642' ' ' LEU . 7.9 mt -60.71 -43.75 97.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.959 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 87.0 m -60.5 -44.63 95.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 73.14 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.62 -50.3 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 74.23 111.18 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.24 -50.75 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 64.51 111.117 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.46 -43.46 96.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 61.22 111.13 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.76 -51.11 55.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 60.14 112.478 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.52 HD13 HG23 ' B' ' 653' ' ' VAL . 84.7 mt -59.95 -51.09 71.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 71.45 110.899 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.508 HG23 HD13 ' B' ' 652' ' ' LEU . 55.9 t -53.05 -52.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 54.33 111.109 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 650' ' ' ALA . 90.9 t -55.49 -36.55 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.12 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.8 mt -67.11 -52.64 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.124 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.61 -40.93 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 54.01 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.17 -55.34 8.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 52.31 110.854 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.11 -53.0 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.21 110.909 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -55.06 -50.16 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 62.02 110.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -51.53 58.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 74.24 112.509 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.18 -32.81 83.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 53.3 112.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.45 -52.14 14.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 72.51 111.179 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.89 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.86 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.04 -48.42 80.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -58.92 -47.59 84.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 71.33 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.62 -52.06 67.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 75.53 110.966 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -56.24 -30.52 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.848 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.21 3.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 73.11 112.599 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -53.17 -27.62 22.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 74.12 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -73.0 -41.77 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.859 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.89 -33.04 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.831 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 147.88 52.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.867 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.75 -33.67 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.813 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -45.47 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.71 118.96 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.842 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.872 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.882 0.373 . . . . 65.12 110.79 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 74.54 30.23 60.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.795 -0.717 . . . . 64.14 112.492 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.47 -23.5 7.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 72.14 110.838 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 54.7 m -76.3 -36.62 58.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 54.43 111.138 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.93 -19.31 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.834 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.452 ' O ' HD12 ' B' ' 646' ' ' LEU . 13.7 mt -65.48 -33.6 76.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 61.12 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.7 m -59.54 -55.62 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.081 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.28 -49.87 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.882 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.99 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 35.32 111.063 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.452 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.7 mt -60.94 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.91 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 83.6 m -60.41 -44.59 95.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 74.41 111.108 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.61 -50.21 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.165 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -50.94 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 53.53 111.083 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.661 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.49 -43.28 97.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.111 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.61 -51.79 49.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 63.03 112.447 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.508 HD13 HG23 ' A' ' 653' ' ' VAL . 84.6 mt -59.74 -51.18 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 63.11 110.91 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.52 HG23 HD13 ' A' ' 652' ' ' LEU . 56.0 t -52.94 -52.34 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 60.54 111.111 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.9 t -55.33 -36.39 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 60.24 111.131 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.31 -52.8 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 72.04 111.165 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.41 -39.93 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.5 mtm -72.44 -55.22 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.875 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.1 mtm -57.08 -53.08 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 72.3 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.54 -50.65 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 52.52 110.949 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.18 60.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.22 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.41 112.42 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 54.9 m -74.0 -52.3 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 65.21 111.15 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.89 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 62.52 110.868 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.32 -47.96 80.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -58.77 -47.85 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -52.04 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 73.42 110.986 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -56.11 -30.22 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.904 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.92 -56.45 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 74.5 112.525 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -51.16 -30.59 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 70.15 110.853 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -69.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 51.44 52.86 13.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 63.52 110.896 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -107.82 -26.54 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 62.42 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 168.64 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 62.54 110.793 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 38.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.31 110.858 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -141.57 90.94 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.851 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.12 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 14.1 mtp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.86 0.362 . . . . 72.44 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 132.6 69.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 52.11 112.477 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 -116.65 -20.62 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 73.01 110.844 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m -76.89 -31.87 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.22 111.208 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -63.69 -13.76 45.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.845 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 646' ' ' LEU . 10.5 mt -69.96 -32.39 70.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.975 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.29 -53.98 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 64.33 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.8 -49.45 72.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 62.44 110.84 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.27 83.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 72.33 111.092 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.7 mt -61.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 63.14 110.897 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.72 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 62.23 111.13 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.44 111.109 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.9 -49.93 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 51.52 111.17 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -61.02 -42.14 97.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 63.44 111.061 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.24 -51.09 58.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 74.3 112.551 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.527 HD13 HG23 ' B' ' 653' ' ' VAL . 88.4 mt -59.84 -49.98 75.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 50.24 110.851 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.516 HG23 HD13 ' B' ' 652' ' ' LEU . 53.8 t -54.3 -52.16 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 75.13 111.09 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 650' ' ' ALA . 96.8 t -55.25 -36.37 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.11 111.09 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.5 mt -67.0 -52.8 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 52.43 111.176 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.74 -40.72 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.05 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -71.15 -55.33 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.12 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.4 mtm -57.21 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 62.12 110.885 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -54.95 -48.93 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 54.04 110.904 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.8 -52.96 49.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 63.3 112.453 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.74 79.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 62.13 112.523 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.3 m -73.36 -51.24 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 74.12 111.133 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -54.9 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 70.23 110.907 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.76 -46.64 84.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 70.3 110.941 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.76 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 72.4 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -52.05 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.49 -53.78 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 71.23 110.827 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.94 -42.42 99.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 61.43 112.457 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -55.28 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 63.01 110.893 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -119.87 69.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 72.43 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -63.12 -52.66 61.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -98.35 -178.18 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.57 159.39 36.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 55.98 35.31 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 63.13 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 33.7 m80 56.59 45.88 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 36.4 m170 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 73.33 110.882 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.777 0.322 . . . . 71.25 110.811 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -154.6 90.48 0.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 43.01 112.44 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.6 92.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 75.13 110.859 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m -126.76 -50.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.183 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -63.57 -12.79 35.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.854 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.46 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.2 mt -70.46 -32.41 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 70.2 110.921 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -59.99 -56.2 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 75.01 111.088 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 43.1 mmm -62.45 -49.19 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 60.23 110.899 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.4 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 64.22 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.8 mt -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 72.3 110.947 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 89.0 m -60.44 -44.27 95.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 54.54 111.13 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.27 -50.74 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 61.45 111.147 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.87 -50.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.51 111.101 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.96 -42.09 97.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 62.41 111.074 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.7 54.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 53.41 112.494 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 653' ' ' VAL . 88.0 mt -59.49 -50.1 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 71.01 110.937 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.527 HG23 HD13 ' A' ' 652' ' ' LEU . 53.7 t -54.23 -52.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 64.52 111.118 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 92.6 t -55.14 -36.17 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 40.41 111.176 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.2 mt -67.24 -53.08 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 71.33 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.46 -39.84 81.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 55.42 110.916 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -72.23 -55.37 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.883 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -57.2 -53.16 61.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 44.02 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.45 -49.42 70.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.83 -52.62 51.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 64.31 112.49 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.33 78.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 75.33 112.488 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.1 m -73.81 -51.37 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 71.51 111.092 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -55.58 32.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 75.13 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.29 -46.32 83.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.951 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.42 -49.65 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.924 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.86 67.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 73.54 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.08 -53.68 39.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 72.01 110.822 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.24 -32.49 80.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 53.12 112.451 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -61.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 73.41 110.872 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.96 35.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.864 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -53.52 -29.09 34.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 60.13 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -44.44 44.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.792 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -87.35 177.08 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 74.1 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -137.17 178.9 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 71.35 110.798 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -120.73 -68.38 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.832 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 75.13 110.829 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.831 0.348 . . . . 45.31 110.815 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 89.13 78.42 1.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 74.32 112.516 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -117.5 -20.26 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 75.25 110.842 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 90.0 m -77.09 -31.36 55.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.221 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -63.93 -13.53 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.854 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 646' ' ' LEU . 10.2 mt -70.39 -32.2 69.76 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.901 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.3 -54.12 49.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.102 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.84 -49.34 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 70.15 110.862 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.28 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.084 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.3 mt -61.56 -43.44 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 75.01 110.861 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 87.4 m -60.84 -44.01 97.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 74.03 111.148 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.55 -50.81 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.33 111.108 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.9 -49.44 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 55.32 111.111 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -61.34 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 42.01 111.102 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.34 -51.0 57.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.709 -0.758 . . . . 30.53 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.528 HD13 HG23 ' B' ' 653' ' ' VAL . 89.5 mt -59.75 -50.62 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 61.43 110.921 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.515 HG23 HD13 ' B' ' 652' ' ' LEU . 52.2 t -53.74 -52.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.41 111.057 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 650' ' ' ALA . 98.4 t -55.21 -36.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.142 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.0 mt -67.07 -52.8 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 64.23 111.147 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -40.78 84.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 65.41 110.897 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.9 mtm -71.23 -55.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.23 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 52.55 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.11 -50.64 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.22 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -50.74 64.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.462 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.44 -33.16 83.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.704 -0.76 . . . . 65.33 112.509 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.6 m -73.47 -53.56 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 74.04 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -54.99 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 52.4 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.37 -51.27 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.899 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.06 -45.0 79.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.933 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -52.14 64.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 73.04 110.95 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -52.6 -32.05 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.889 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -83.8 -57.49 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 63.15 112.516 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -28.8 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 73.44 110.901 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.0 mmm-85 -58.09 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 70.35 110.876 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -69.21 -27.77 65.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.796 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.93 155.78 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -112.19 154.26 25.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.807 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.48 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.869 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -121.16 166.85 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 65.23 110.821 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 71.35 110.856 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.848 0.356 . . . . 74.15 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 127.05 81.51 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 62.31 112.488 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 92.56 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 74.25 110.952 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m -128.04 -51.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 54.11 111.163 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.86 -12.31 35.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.803 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.0 mt -70.81 -32.25 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 73.33 110.927 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.02 -56.1 25.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.54 111.232 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.71 -48.83 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.927 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.3 mt -61.65 -43.25 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.962 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 81.0 m -60.75 -44.16 97.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 72.33 111.132 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.41 -50.93 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 71.13 111.135 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.84 -49.51 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 63.03 111.116 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -61.29 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 53.31 111.122 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.23 -51.55 53.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 52.45 112.446 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.515 HD13 HG23 ' A' ' 653' ' ' VAL . 89.2 mt -59.47 -50.68 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 63.41 110.925 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.528 HG23 HD13 ' A' ' 652' ' ' LEU . 53.0 t -53.75 -51.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.43 111.151 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 650' ' ' ALA . 96.6 t -55.15 -36.5 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.13 111.084 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.4 mt -67.44 -52.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 62.3 111.1 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.45 -39.79 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.8 mtm -72.43 -55.21 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 71.55 110.924 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.07 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 44.25 110.818 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.68 -51.11 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -50.43 67.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 61.2 112.505 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.25 -32.67 82.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.477 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.29 -53.65 9.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 74.32 111.205 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.25 -56.13 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 64.54 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -50.83 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.908 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -55.68 -45.49 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 61.51 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -52.05 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.899 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -52.29 -31.69 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.818 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -84.54 -56.93 2.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 74.31 112.455 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.64 -28.54 21.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.339 . . . . 75.55 110.918 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.94 -49.05 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.844 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 35.8 t60 71.24 -68.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 65.01 110.867 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 56.8 91.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.865 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.1 149.63 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 70.42 110.876 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -116.65 -33.46 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.902 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -36.15 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.04 110.882 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.877 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 14.2 mtt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.816 0.341 . . . . 75.25 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 134.53 143.58 4.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.442 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 13.7 34.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.966 0.412 . . . . 64.53 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 93.2 m -113.73 -36.32 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 75.13 111.104 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -64.3 -12.65 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.88 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.7 mt -70.18 -32.28 70.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.911 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.34 -54.12 49.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.5 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.91 -48.95 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 61.33 110.945 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.58 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.123 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.9 mt -61.25 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.909 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 79.5 m -60.71 -44.6 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.65 -50.55 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 42.51 111.178 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.59 -50.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 60.3 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.77 -43.29 98.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 32.3 111.109 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.03 -51.12 56.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 73.32 112.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.524 HD13 HG23 ' B' ' 653' ' ' VAL . 84.1 mt -59.85 -51.03 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 64.24 110.99 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.512 HG23 HD13 ' B' ' 652' ' ' LEU . 54.1 t -53.05 -52.15 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 65.34 111.104 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 650' ' ' ALA . 99.5 t -55.44 -36.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.172 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 652' ' ' LEU . 34.9 mt -67.07 -52.7 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.51 111.136 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.8 -40.68 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.4 mtm -71.22 -55.24 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 64.1 110.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.23 -53.12 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 54.42 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.0 -49.61 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 63.22 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.01 -51.99 55.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 65.12 112.473 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.14 -32.59 82.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 53.35 112.513 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.34 -52.68 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 63.24 111.158 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.0 -55.14 34.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 74.32 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.22 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.44 -43.49 96.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 54.32 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -52.52 64.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.22 110.912 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -53.08 -39.18 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 53.41 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.66 -35.09 37.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 72.45 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.92 -40.59 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 74.05 110.85 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.55 20.51 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.877 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -64.55 -42.69 95.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -97.28 -40.83 8.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -63.66 167.84 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 70.33 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -116.27 111.62 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -89.98 114.67 26.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 65.12 110.905 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 4.7 m80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.859 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.742 0.306 . . . . 71.15 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -170.81 -95.92 0.1 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 51.04 112.543 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 54.72 91.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 74.32 110.855 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.6 m -138.6 -50.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 65.5 111.156 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -64.26 -12.05 37.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 73.21 110.895 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.5 mt -70.75 -32.29 69.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.13 -56.27 23.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.054 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.63 -48.71 78.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.14 110.836 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.68 84.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 44.51 111.086 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.0 mt -61.25 -43.44 98.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 72.33 110.922 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 75.0 m -60.5 -44.67 95.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 71.21 111.107 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.53 -50.49 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.57 -50.36 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.112 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.658 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.83 -43.11 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.34 111.087 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.84 -51.89 50.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 64.32 112.46 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 653' ' ' VAL . 85.4 mt -59.7 -51.12 71.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.842 0.354 . . . . 74.15 110.838 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.524 HG23 HD13 ' A' ' 652' ' ' LEU . 53.8 t -52.97 -52.16 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 71.22 111.127 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 650' ' ' ALA . 99.4 t -55.51 -36.37 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 65.4 111.09 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.31 -52.87 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 74.25 111.138 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.52 -39.82 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.44 -55.06 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.28 -53.2 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -54.53 -49.84 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 72.33 110.967 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.83 56.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 72.22 112.471 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.11 81.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 62.53 112.446 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.85 -52.73 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 73.32 111.098 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.9 -56.04 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.99 -47.63 80.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.954 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -60.04 -44.05 94.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.93 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.47 56.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -51.89 -38.27 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.54 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -71.13 -58.0 5.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 72.43 112.52 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -31.1 62.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 72.25 110.898 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -95.19 26.76 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -51.63 -30.46 21.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.15 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -103.95 79.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 54.52 110.881 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -108.42 -45.17 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 54.45 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -142.22 -74.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.88 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.76 136.68 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.817 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 60.5 110.852 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 19.2 ttt . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.812 0.339 . . . . 74.03 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 151.78 -44.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 61.23 112.548 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? 62.07 15.38 7.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 73.35 110.873 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 94.8 m -92.58 -34.22 14.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 73.24 111.054 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.14 -13.11 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 65.51 110.839 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.9 mt -70.56 -32.33 69.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.21 110.847 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.32 -54.09 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 34.42 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 78.6 mtm -63.85 -48.96 74.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 53.04 110.9 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 21.13 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.3 mt -61.7 -43.73 98.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.877 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.1 m -60.37 -43.62 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 60.55 111.192 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.4 -52.05 65.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.215 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.19 -46.23 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 75.43 111.085 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -63.5 -39.74 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 72.22 111.105 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.68 -51.06 61.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.665 -0.778 . . . . 64.13 112.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 655' ' ' ILE . 29.4 mt -59.39 -45.21 92.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.863 0.363 . . . . 74.14 110.945 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.576 ' CG2' HD13 ' B' ' 652' ' ' LEU . 62.1 t -59.2 -53.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 62.41 111.139 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 650' ' ' ALA . 96.8 t -55.08 -32.72 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 652' ' ' LEU . 24.3 mt -66.84 -52.62 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.063 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.8 -41.07 85.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 37.2 mtm -70.99 -55.47 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 72.23 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.9 mtm -56.83 -53.78 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 64.23 110.829 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.1 mt -55.08 -48.58 73.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.16 -53.23 46.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 51.42 112.471 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.0 -31.96 81.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 53.34 112.457 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.44 -53.72 10.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 73.14 111.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -55.08 35.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 51.53 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.67 -49.5 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 72.43 110.963 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.72 -48.5 80.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.865 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.14 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.945 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -52.94 -53.87 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 71.45 110.823 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -64.84 -27.29 71.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.72 . . . . 54.14 112.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -65.48 -61.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 64.32 110.907 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -54.12 -35.04 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.835 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -56.7 -27.2 58.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 65.12 110.901 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.33 130.61 56.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 53.22 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.03 -68.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 75.35 110.865 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.24 129.33 41.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.839 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -98.91 155.72 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 119.202 -0.428 . . . . 73.22 110.848 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.749 0.309 . . . . 73.44 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -112.83 -92.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 40.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 54.79 91.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 64.5 110.803 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 80.0 m -131.27 -50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 61.5 111.059 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -64.14 -12.11 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 51.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.7 mt -70.78 -32.41 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 62.32 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.03 -56.14 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 63.41 111.161 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 78.5 mtm -62.6 -48.72 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.889 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.3 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.145 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.2 mt -61.91 -43.63 98.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 64.22 110.933 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.36 -43.63 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 71.23 111.1 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.4 -52.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.13 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 23.35 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.664 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -63.62 -39.68 94.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 62.32 111.153 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.47 -52.06 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 75.22 112.466 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' B' ' 655' ' ' ILE . 28.4 mt -58.95 -45.12 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 73.11 110.927 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.569 ' CG2' HD13 ' A' ' 652' ' ' LEU . 63.7 t -59.19 -53.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 54.01 111.134 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.5 t -54.92 -32.57 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.21 111.092 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' B' ' 652' ' ' LEU . 23.8 mt -66.84 -52.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.127 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.5 -40.59 83.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.931 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 36.9 mtm -71.76 -55.47 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 63.33 110.841 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.76 -54.05 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 70.5 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.929 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.03 48.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 62.33 112.501 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.04 -31.7 80.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 64.02 112.46 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 49.5 m -73.55 -54.05 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 74.2 111.204 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -55.97 24.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.926 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.01 -49.29 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 74.41 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -58.33 -48.69 79.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 72.53 110.925 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -52.54 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -53.35 -53.97 43.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.892 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.13 83.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 23.22 112.465 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -61.41 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 70.13 110.825 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -118.67 69.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 75.11 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -83.17 55.54 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.847 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.67 32.3 0.87 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 74.41 110.882 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.85 -71.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.05 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 56.97 26.04 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.845 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -153.62 164.6 37.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.894 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.839 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.834 0.35 . . . . 74.4 110.963 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 151.11 88.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.69 -0.767 . . . . 53.23 112.444 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.17 14.98 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 73.1 110.95 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 89.0 m -107.91 -34.7 6.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 60.24 111.142 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -12.94 46.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 64.03 110.844 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.2 mt -70.25 -32.35 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.96 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.18 -54.08 50.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 71.21 111.222 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -63.87 -49.09 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 61.31 110.919 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.46 84.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 63.15 111.092 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.7 mt -61.3 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 72.15 110.92 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 79.7 m -60.74 -44.75 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.106 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.67 -50.6 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.177 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.14 -50.47 79.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 63.41 111.072 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.56 -43.39 97.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 53.42 111.135 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.0 -50.97 56.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.7 -0.762 . . . . 72.0 112.557 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.52 HD13 HG23 ' B' ' 653' ' ' VAL . 85.7 mt -59.94 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 72.12 110.922 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.51 HG23 HD13 ' B' ' 652' ' ' LEU . 56.1 t -53.09 -52.23 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.203 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 650' ' ' ALA . 99.1 t -55.17 -36.79 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 70.11 111.087 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.3 mt -66.97 -52.75 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.119 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.53 -40.92 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 52.44 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.14 -55.37 8.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.874 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.01 -53.13 61.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.768 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.01 -50.16 69.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 72.43 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.8 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.716 . . . . 62.44 112.486 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.07 -32.66 83.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 61.3 112.514 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.42 -51.55 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 72.34 111.127 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -55.0 39.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 62.43 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.55 -47.03 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -60.61 -48.77 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -52.16 66.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.885 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.2 -53.74 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 75.2 110.858 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.03 98.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.68 -0.771 . . . . 75.04 112.495 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.35 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 72.45 110.811 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -66.7 -28.49 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.87 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -69.91 -26.66 64.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 65.11 110.838 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.59 -53.19 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 74.32 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -94.19 124.86 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.946 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 129.9 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 74.04 110.879 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -90.97 175.91 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.873 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.868 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.862 0.363 . . . . 72.42 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 128.65 146.66 6.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 33.42 112.535 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 53.03 89.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 70.41 110.912 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.5 m -128.6 -49.72 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.24 111.133 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -11.94 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.854 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.475 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.0 mt -70.59 -32.28 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 43.11 111.178 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -62.69 -48.87 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.829 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.47 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 52.42 111.099 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.475 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.7 mt -61.39 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 63.51 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.4 m -60.63 -44.79 95.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.44 111.129 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.65 -50.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 73.12 111.138 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.88 -50.49 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 62.22 111.148 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.74 -43.2 98.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.45 111.035 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.9 -51.75 51.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 64.43 112.461 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.51 HD13 HG23 ' A' ' 653' ' ' VAL . 85.9 mt -59.63 -51.09 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 51.55 110.942 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.52 HG23 HD13 ' A' ' 652' ' ' LEU . 54.9 t -53.15 -52.14 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.04 111.081 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 650' ' ' ALA . 99.8 t -55.2 -36.65 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 70.53 111.165 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.15 -52.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 63.25 111.072 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.34 -40.01 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.02 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.35 -55.36 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.51 110.851 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -56.9 -53.08 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.7 -50.48 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 55.54 110.941 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -51.54 57.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.04 112.453 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.41 82.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 73.11 112.524 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.0 m -73.83 -51.62 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 63.44 111.136 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -55.79 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 71.4 110.866 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.12 -46.69 82.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -60.17 -49.08 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 70.23 110.923 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -52.58 64.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 63.4 110.921 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.61 -54.01 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.98 99.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 72.24 112.526 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -62.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 62.42 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -118.95 69.24 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.55 110.927 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 60.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 70.14 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -159.11 82.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 65.01 110.799 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -148.33 156.39 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 65.31 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -163.37 64.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 72.21 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -71.49 160.36 32.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 63.22 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.908 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.818 0.342 . . . . 64.12 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -119.23 83.88 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.673 -0.775 . . . . 44.11 112.49 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.29 92.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 74.03 110.863 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 95.7 m -129.25 -49.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 70.33 111.206 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.01 -12.03 34.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 73.34 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 646' ' ' LEU . 5.7 mt -70.77 -32.91 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.943 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -54.09 50.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 53.2 111.136 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -63.82 -49.64 72.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.1 110.822 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.83 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 50.35 111.1 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.3 mt -62.58 -43.56 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.954 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.9 m -60.42 -42.57 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 75.13 111.168 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.25 -52.58 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 74.04 111.058 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 653' ' ' VAL . 60.3 mt -61.1 -44.53 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.131 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -65.24 -40.64 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 62.31 111.039 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.06 -51.08 61.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 15.22 112.477 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.686 ' HA ' HD12 ' A' ' 655' ' ' ILE . 37.7 mt -59.6 -45.78 90.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 70.53 110.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.557 ' CG2' HD13 ' B' ' 652' ' ' LEU . 58.6 t -58.95 -53.06 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 61.52 111.116 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 650' ' ' ALA . 86.8 t -55.02 -33.13 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.12 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 652' ' ' LEU . 24.1 mt -66.66 -52.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.23 111.085 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.99 -40.72 85.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 54.9 mtm -71.16 -55.41 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 72.4 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 23.8 mtm -57.03 -53.42 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.859 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.0 -50.36 69.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 61.1 110.881 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.4 58.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 62.12 112.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.79 -33.3 85.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 51.2 112.507 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -73.46 -53.88 9.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 74.31 111.184 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -55.06 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.36 -51.27 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 53.41 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.67 -45.79 81.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.91 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -51.89 67.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -53.6 -33.2 54.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.857 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -81.07 -57.56 2.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 64.35 112.528 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -28.23 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 44.12 110.874 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -85.21 -32.12 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -63.81 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.815 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -65.25 106.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.875 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.2 104.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 62.1 110.842 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -71.72 -52.61 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 65.33 110.93 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 54.42 44.25 29.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.873 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 63.32 110.868 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.823 0.344 . . . . 74.12 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -112.84 -101.84 2.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 52.41 112.459 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 54.29 91.57 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 74.04 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.9 m -140.44 -49.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.3 111.192 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.27 -11.9 36.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.854 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 646' ' ' LEU . 5.6 mt -70.93 -32.86 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 55.53 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.49 -55.99 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.149 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.77 -49.3 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.888 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.9 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 22.33 111.071 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.2 mt -62.72 -43.4 98.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.959 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.4 m -60.38 -42.51 96.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 62.21 111.135 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.17 -52.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 63.41 111.075 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 649' ' ' ILE . . . . . 0.425 ' O ' HG23 ' B' ' 653' ' ' VAL . 60.9 mt -60.94 -44.47 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 74.04 111.13 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.649 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -65.43 -40.62 93.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -58.88 -52.13 55.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 51.34 112.514 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 655' ' ' ILE . 36.5 mt -58.95 -45.7 89.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.328 . . . . 55.21 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.55 ' CG2' HD13 ' A' ' 652' ' ' LEU . 56.5 t -58.93 -53.19 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 63.31 111.052 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.649 HG23 ' O ' ' B' ' 650' ' ' ALA . 87.0 t -54.88 -32.91 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.145 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.0 mt -66.9 -52.99 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.097 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.65 -40.04 82.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 55.0 mtm -72.14 -55.41 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 23.6 mtm -56.98 -53.51 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 44.45 110.888 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.8 mt -54.49 -50.55 67.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 52.2 110.922 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.44 58.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 43.22 112.476 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.86 -32.65 83.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 54.34 112.457 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.6 m -73.94 -54.52 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.32 111.164 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -56.04 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 51.43 110.897 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.55 -50.8 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.875 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.57 -46.51 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 60.55 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 73.35 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -53.71 -32.79 53.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 53.41 110.911 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.55 -55.9 4.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.666 -0.778 . . . . 75.14 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -31.02 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 64.51 110.856 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -94.07 20.17 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 64.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -52.25 -29.77 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 75.01 110.921 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -51.91 112.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.895 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.86 86.81 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -150.22 83.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.922 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -103.33 139.19 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 61.32 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 23.1 ttp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.878 0.37 . . . . 72.44 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -138.15 -142.19 4.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 52.15 112.512 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -118.51 -25.42 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.899 0.38 . . . . 70.32 110.873 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 60.4 m -75.51 -32.42 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 54.24 111.147 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -61.89 -15.31 41.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 73.04 110.915 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 646' ' ' LEU . 14.1 mt -70.6 -32.22 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 61.3 110.916 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.6 m -60.34 -54.01 50.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 52.23 111.089 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 34.7 mtp -63.79 -49.51 72.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.897 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.54 83.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.12 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 642' ' ' LEU . 7.7 mt -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.94 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.0 m -60.56 -44.3 96.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.128 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.59 -50.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.04 111.159 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 70.0 mt -56.94 -50.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 75.23 111.102 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.69 -43.37 97.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 64.53 110.997 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.07 55.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 75.12 112.512 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.521 HD13 HG23 ' B' ' 653' ' ' VAL . 84.0 mt -59.94 -51.08 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 73.24 110.939 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.511 HG23 HD13 ' B' ' 652' ' ' LEU . 55.5 t -52.87 -51.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.173 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 650' ' ' ALA . 99.0 t -55.88 -36.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 73.02 111.103 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.4 mt -67.03 -52.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 70.22 111.141 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.04 -40.61 85.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 61.33 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.9 mtm -71.17 -54.88 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.861 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.7 -53.08 62.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 62.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.08 -48.95 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.0 -52.54 51.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 62.42 112.46 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.86 79.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 62.44 112.533 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 48.1 m -73.32 -52.39 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 73.23 111.124 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -55.0 36.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.87 -49.09 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -58.27 -47.88 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.881 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.52 -30.89 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.837 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.9 -56.17 3.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 74.13 112.446 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -53.65 -27.67 28.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 61.11 110.911 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -63.03 -33.62 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 62.54 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.67 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 64.03 110.832 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 55.96 62.19 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 53.15 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -122.12 -34.92 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.22 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -142.77 172.14 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 55.12 110.822 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -146.31 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.88 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.918 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.844 0.354 . . . . 75.41 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -157.46 84.32 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 52.2 112.476 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -139.27 88.9 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 73.33 110.847 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m -132.0 -51.12 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.12 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.96 -14.32 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.836 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 646' ' ' LEU . 14.3 mt -70.84 -32.37 69.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 65.04 110.927 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.5 m -60.01 -55.97 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.142 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.65 -49.09 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.944 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.66 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.071 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.447 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.6 mt -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.917 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 82.6 m -60.35 -44.37 95.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.19 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.56 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 53.13 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.89 -50.56 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.064 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.59 -43.23 97.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.093 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 71.33 112.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.511 HD13 HG23 ' A' ' 653' ' ' VAL . 84.0 mt -59.63 -51.26 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 73.45 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 652' ' ' LEU . 54.4 t -52.96 -51.99 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.136 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 650' ' ' ALA . 98.3 t -55.61 -36.28 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 55.21 111.105 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.1 mt -67.31 -52.79 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.01 111.153 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.71 -39.76 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 52.33 110.929 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.0 mtm -72.39 -54.71 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.22 110.87 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.69 -53.24 60.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 64.22 110.851 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.52 -49.35 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.909 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.34 52.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 55.42 112.456 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.39 -31.3 78.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 55.42 112.518 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 48.7 m -74.06 -52.45 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 62.12 111.205 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.77 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.867 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.21 -48.63 78.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -58.27 -48.06 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.9 -52.17 66.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.916 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.37 -30.68 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.32 110.925 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.82 -57.63 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 65.33 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.92 -31.16 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 73.42 110.864 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -90.98 -57.31 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.906 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 51.24 49.52 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -126.04 62.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -122.58 -58.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 65.31 110.889 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 62.15 170.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 52.4 110.836 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -156.47 99.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.55 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.858 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 75.14 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 169.41 -79.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 52.52 112.47 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.23 14.72 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 64.3 110.825 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 75.5 m -115.07 -36.66 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 71.11 111.101 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -63.9 -12.95 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.45 110.844 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.1 mt -70.49 -32.52 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.1 -54.19 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.4 111.15 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 67.9 mtm -63.72 -49.02 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.0 110.953 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.62 84.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 62.14 111.145 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.2 mt -61.16 -43.45 98.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 71.52 110.945 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 82.5 m -60.62 -44.7 96.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.24 111.132 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.51 -50.39 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 75.31 111.122 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.3 mt -58.7 -50.87 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 51.41 111.122 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.47 -44.33 96.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 55.45 111.141 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.11 51.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 74.32 112.485 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.521 HD13 HG23 ' B' ' 653' ' ' VAL . 85.1 mt -59.92 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 71.43 110.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.514 HG23 HD13 ' B' ' 652' ' ' LEU . 55.6 t -52.81 -52.17 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.15 111.122 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 650' ' ' ALA . 61.3 t -55.53 -36.4 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.106 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.5 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 54.32 111.189 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.72 -40.82 84.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.935 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 49.1 mtm -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.27 -53.23 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.821 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.0 -49.27 71.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 61.53 110.922 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.04 54.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 63.13 112.409 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.07 79.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.761 -0.733 . . . . 71.31 112.449 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.4 m -73.31 -50.77 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 70.32 111.129 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.883 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.92 -45.73 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -62.22 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -52.25 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 72.44 110.96 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -53.12 -53.36 51.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 40.33 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.31 -24.28 63.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 62.4 112.411 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -39.35 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 71.33 110.88 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -27.54 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.52 110.822 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -76.3 -44.99 34.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.827 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 128.44 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 115.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 44.13 110.867 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.44 149.96 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.834 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -72.14 132.77 44.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.828 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 72.2 110.87 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.859 0.362 . . . . 40.43 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -101.88 -98.95 2.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 63.23 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 54.82 91.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.402 . . . . 73.25 110.888 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m -130.19 -50.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 74.43 111.149 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.98 -12.23 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.03 110.825 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.489 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.9 mt -70.8 -32.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 64.35 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.97 -56.17 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 61.4 111.145 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 67.8 mtm -62.61 -48.7 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 63.12 110.865 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.74 84.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.489 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.2 mt -61.25 -43.42 98.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.9 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.3 m -60.44 -44.75 95.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.31 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.43 -50.45 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.084 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -50.94 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.114 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.675 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.6 -44.14 96.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.116 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.73 -51.73 46.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 63.34 112.539 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 653' ' ' VAL . 84.2 mt -59.65 -51.48 69.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 75.23 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 652' ' ' LEU . 54.4 t -52.7 -52.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.043 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 650' ' ' ALA . 63.0 t -55.55 -36.19 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.068 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.7 mt -67.26 -52.91 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.096 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.44 -39.94 81.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.934 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.8 mtm -72.45 -55.1 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 73.24 110.838 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.7 mtm -57.23 -53.16 61.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.872 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.65 -49.76 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.893 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.68 -51.61 57.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 71.14 112.489 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.83 -31.73 79.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 74.51 112.512 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.8 -50.72 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 61.15 111.112 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -55.83 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.66 -45.46 85.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 71.34 110.848 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.92 -46.16 90.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.972 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -53.21 60.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 65.14 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -53.11 -53.35 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 70.33 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.36 -20.92 63.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 73.25 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -88.29 -17.48 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 73.5 110.894 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.36 -76.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 51.42 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -141.0 17.43 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.52 110.812 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.93 32.41 6.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -68.05 -26.05 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 71.23 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -54.25 146.04 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.879 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -132.51 51.16 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.852 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.785 0.326 . . . . 71.34 110.956 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 139.47 -66.72 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.74 -0.743 . . . . 60.1 112.448 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -11.53 9.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 74.42 110.854 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 92.0 m -77.07 -31.51 56.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 61.52 111.14 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -13.57 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.0 mt -70.56 -32.62 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 51.3 110.885 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -54.11 49.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 72.01 111.113 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -63.76 -49.15 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 63.34 111.037 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.6 mt -61.27 -43.58 98.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.909 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.1 m -60.48 -44.31 96.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.94 -50.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 70.21 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.04 -49.88 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.02 111.109 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -62.3 -41.07 98.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 70.41 111.091 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.02 -51.07 57.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 64.32 112.472 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.525 HD13 HG23 ' B' ' 653' ' ' VAL . 66.1 mt -61.62 -50.14 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 61.23 110.932 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.528 HG23 HD13 ' B' ' 652' ' ' LEU . 44.1 t -52.68 -49.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.198 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 650' ' ' ALA . 90.3 t -58.49 -37.52 64.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 52.43 111.096 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 652' ' ' LEU . 39.9 mt -66.46 -46.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.51 111.147 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.91 -42.56 99.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.957 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 48.4 mtm -71.24 -45.98 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 71.0 110.798 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.07 -55.25 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 63.31 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.87 -46.05 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 54.04 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.15 -53.57 43.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 63.2 112.484 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.55 76.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 43.02 112.471 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.4 m -73.28 -53.86 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 74.33 111.137 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -55.03 31.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.42 . . . . 72.45 110.845 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.89 -50.39 73.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 64.12 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -57.05 -46.05 82.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -52.09 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 62.43 110.939 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -56.8 -31.2 64.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 72.14 110.942 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.62 -57.35 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 42.23 112.483 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -31.0 20.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 64.21 110.886 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -85.91 -34.86 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 64.44 110.92 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.36 -54.42 47.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.89 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -68.62 157.25 36.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 75.25 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 59.61 44.44 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.886 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -76.97 150.76 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.13 110.845 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -123.22 146.77 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.1 110.882 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.885 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.854 0.359 . . . . 71.25 110.839 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 82.07 65.95 1.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 51.33 112.439 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -139.46 89.12 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 72.13 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 93.8 m -134.88 -49.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.193 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -12.48 37.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.82 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.482 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.9 mt -70.86 -32.57 69.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -62.51 -48.99 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 65.11 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.99 -41.71 83.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 65.1 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.482 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.7 mt -61.38 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 74.14 110.962 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.9 m -60.51 -44.25 96.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 74.14 111.141 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.11 -50.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 64.13 111.088 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.82 -50.07 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 73.52 111.164 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.656 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -62.38 -41.0 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.52 111.044 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.89 -51.6 54.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.798 -0.715 . . . . 54.23 112.464 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.528 HD13 HG23 ' A' ' 653' ' ' VAL . 65.1 mt -61.29 -50.49 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 74.14 110.867 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.525 HG23 HD13 ' A' ' 652' ' ' LEU . 43.0 t -52.45 -49.84 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.108 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 650' ' ' ALA . 88.7 t -58.55 -37.32 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.22 111.126 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' B' ' 652' ' ' LEU . 40.0 mt -66.73 -46.61 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 72.42 111.088 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -62.7 -41.83 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 64.52 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.3 mtm -72.22 -45.78 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 55.22 110.943 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 658' ' ' MET . . . . . 0.41 ' HE2' HG12 ' B' ' 654' ' ' VAL . 24.6 mtm -65.17 -55.59 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 54.02 110.887 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -53.96 -46.47 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.946 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.34 -53.73 41.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 53.21 112.483 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.59 75.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 71.3 112.515 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.19 -54.61 7.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 53.15 111.132 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.87 -55.49 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.901 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.23 -50.09 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 73.01 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.83 -46.3 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.935 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -52.42 64.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.53 -31.74 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 62.53 110.809 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -84.23 -28.75 32.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 55.52 112.48 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -65.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 61.21 110.906 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -119.91 69.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.9 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -56.17 -31.89 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.89 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -67.08 108.6 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -161.81 113.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -117.8 100.81 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 70.51 110.831 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 54.24 110.879 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.2 110.839 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 2.1 tpp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.77 0.319 . . . . 74.25 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 112.36 144.48 9.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 31.34 112.531 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 -19.48 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 72.33 110.882 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 7.0 t -77.0 -30.48 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 51.25 111.122 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -64.29 -13.61 50.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 65.1 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.481 ' O ' HD12 ' A' ' 646' ' ' LEU . 8.9 mt -70.3 -32.51 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.909 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.17 -54.04 50.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 52.45 111.207 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.76 -49.05 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 64.3 110.853 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.66 85.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.55 111.081 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.3 mt -61.11 -43.77 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.883 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 80.0 m -60.31 -44.72 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 72.51 111.106 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.49 -50.42 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 63.1 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.05 -50.67 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.49 -43.07 97.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 74.04 111.119 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.08 56.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 61.4 112.509 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.519 HD13 HG23 ' B' ' 653' ' ' VAL . 83.3 mt -60.01 -50.91 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 64.31 110.921 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.507 HG23 HD13 ' B' ' 652' ' ' LEU . 55.8 t -53.14 -52.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 73.41 111.141 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 650' ' ' ALA . 96.4 t -55.37 -36.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 75.12 111.147 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 652' ' ' LEU . 36.2 mt -67.08 -52.71 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 74.24 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.84 -40.62 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -71.17 -55.1 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 63.05 110.894 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.45 -52.92 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 73.24 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -54.97 -50.55 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.88 55.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 74.11 112.454 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.19 85.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 71.13 112.494 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -73.39 -52.17 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 74.43 111.152 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -55.07 38.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 71.1 110.85 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.16 -47.38 81.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 65.12 110.934 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.17 -49.59 77.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -51.99 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 72.23 110.937 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -52.35 -53.76 40.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 63.42 110.824 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.18 -36.16 91.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 75.13 112.503 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -67.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 71.44 110.842 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -70.01 -67.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.54 110.84 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 51.57 52.3 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.92 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 172.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.43 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -55.64 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.45 110.883 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 56.49 36.05 26.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 63.41 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -63.42 155.73 28.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.865 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.53 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 70.23 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 169.68 88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 64.52 112.452 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -153.91 92.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 72.21 110.868 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 66.9 m -130.43 -50.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 71.32 111.115 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -64.03 -12.4 38.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 62.32 110.885 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.481 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.8 mt -70.77 -32.41 69.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 62.54 110.867 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.95 -56.22 24.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 64.31 111.11 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -62.59 -48.79 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 64.13 110.797 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.85 84.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 54.53 111.101 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.3 mt -61.11 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.24 -44.7 95.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.097 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.54 -50.38 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.093 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.91 -50.9 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 54.54 111.183 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.653 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.5 -42.88 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.063 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.04 -51.78 51.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 75.03 112.449 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 653' ' ' VAL . 83.7 mt -59.81 -50.95 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 72.3 110.908 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 652' ' ' LEU . 56.1 t -53.19 -52.39 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 52.33 111.104 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 650' ' ' ALA . 96.9 t -55.25 -36.4 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.23 111.104 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.34 -52.96 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 62.31 111.125 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.57 -39.61 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.3 mtm -72.6 -54.93 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 64.2 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.49 -52.89 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 64.03 110.861 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.65 -50.96 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.14 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.02 -51.56 57.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 73.41 112.443 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.29 -33.0 85.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.783 -0.723 . . . . 63.23 112.44 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.72 -52.27 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 51.41 111.151 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -55.85 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 62.41 110.769 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.82 -46.85 81.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.3 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -59.89 -49.76 76.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.913 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -52.27 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.879 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.49 -53.91 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.21 110.9 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -66.28 -18.37 67.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 73.42 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -75.37 -66.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 65.35 110.882 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -123.52 67.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.51 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 179.98 34.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.882 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -80.13 -58.38 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.827 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -115.16 60.03 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 63.12 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.24 137.04 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.1 110.829 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -158.41 -61.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.84 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 35.2 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 64.53 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 98.85 97.27 2.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 70.15 112.511 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -118.14 -22.97 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 74.24 110.946 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 85.8 m -75.1 -30.95 61.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 72.42 111.16 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -63.49 -14.2 48.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.888 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 646' ' ' LEU . 10.9 mt -70.73 -32.23 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.52 110.965 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.26 -54.09 49.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.123 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.97 -49.31 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.8 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 642' ' ' LEU . 7.1 mt -61.99 -43.23 99.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 73.31 110.922 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 90.3 m -60.98 -43.76 98.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 44.13 111.157 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.62 -51.14 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 71.13 111.198 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.24 -48.26 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.11 111.154 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -62.01 -42.56 99.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.11 111.064 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.89 60.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 45.41 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.54 HD13 HG23 ' B' ' 653' ' ' VAL . 93.6 mt -59.52 -49.83 76.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 74.21 110.882 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.528 HG23 HD13 ' B' ' 652' ' ' LEU . 48.0 t -54.67 -51.49 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.42 111.13 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 650' ' ' ALA . 88.1 t -55.39 -36.59 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 72.42 111.097 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.7 mt -67.05 -52.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.202 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.73 -40.72 84.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.18 -55.53 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.859 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.9 mtm -56.93 -53.12 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 75.33 110.906 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.13 -49.68 71.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.51 110.932 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.07 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 64.32 112.509 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.28 -32.23 81.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.815 -0.707 . . . . 53.44 112.455 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.5 m -73.49 -51.56 16.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 73.33 111.135 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -54.89 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.7 -47.27 82.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 62.44 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -60.17 -48.84 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.1 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 75.15 110.927 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -52.18 -53.73 39.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 41.31 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.97 -39.39 98.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 74.04 112.424 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -55.9 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 73.3 110.834 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -58.1 -25.68 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 70.42 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.5 -9.17 58.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.893 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 23.8 p80 38.47 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -116.88 -27.53 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 64.53 110.822 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -29.44 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.14 110.839 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 15.4 m170 63.19 62.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.874 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.832 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 75.11 110.838 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -155.25 88.81 0.12 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.795 -0.717 . . . . 65.53 112.493 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -154.12 92.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 71.1 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.2 m -126.3 -51.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.12 111.156 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.52 -12.81 35.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.803 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.461 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.7 mt -70.85 -32.25 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 63.22 110.904 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.0 -55.95 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 73.4 111.131 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.9 -48.94 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 75.32 110.925 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.97 83.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.094 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.1 mt -62.11 -43.07 99.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.955 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 86.9 m -60.92 -43.71 98.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 73.3 111.146 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.52 -51.27 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.32 111.109 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.07 -48.32 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 53.52 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.67 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -62.07 -42.5 99.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.06 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.38 56.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.766 -0.731 . . . . 73.4 112.423 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.528 HD13 HG23 ' A' ' 653' ' ' VAL . 93.1 mt -59.15 -49.84 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 73.31 110.951 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.54 HG23 HD13 ' A' ' 652' ' ' LEU . 47.8 t -54.69 -51.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.107 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 650' ' ' ALA . 86.9 t -55.36 -36.28 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 55.22 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 652' ' ' LEU . 36.2 mt -67.41 -53.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.064 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.4 -39.86 80.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.883 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.9 mtm -72.39 -55.39 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.41 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.5 mtm -56.92 -53.18 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.872 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -54.71 -50.12 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 42.53 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.78 56.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 63.4 112.489 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 51.51 112.459 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.4 m -73.91 -51.68 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 64.21 111.174 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.29 -55.64 30.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.885 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.53 -46.71 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.03 110.869 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.89 -49.05 79.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 62.11 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -52.53 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -52.45 -53.92 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 53.23 110.855 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -66.56 -23.03 71.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 53.3 112.501 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -69.92 -67.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 74.24 110.817 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -118.13 -33.1 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 71.22 -68.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.813 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 63.35 158.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.84 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 162.88 6.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 64.24 110.815 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 164.02 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.853 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -97.85 111.89 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 29.6 p80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.876 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.777 0.322 . . . . 74.02 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 165.53 91.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 45.2 112.502 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' ARG . . . . . 0.787 ' HA ' HD12 ' A' ' 642' ' ' LEU . 1.4 mpt_? -116.6 -15.55 10.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 72.24 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 81.5 p -88.12 -46.27 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 72.33 111.131 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -59.02 -15.42 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.859 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 639' ' ' ARG . 11.6 mt -68.87 -33.22 73.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 63.22 110.908 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.9 m -59.87 -54.03 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 65.55 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 67.9 mtm -63.48 -49.83 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 43.41 110.826 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.19 82.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 71.5 111.115 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 642' ' ' LEU . 7.7 mt -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -42.88 94.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 54.41 111.096 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.46 -52.57 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 74.03 111.098 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 653' ' ' VAL . 62.4 mt -59.99 -44.98 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 41.22 111.154 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.644 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -64.67 -39.56 93.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 71.01 111.069 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.92 -51.1 60.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 64.12 112.507 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' A' ' 655' ' ' ILE . 27.0 mt -59.83 -45.0 93.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 74.14 110.965 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.577 ' CG2' HD13 ' B' ' 652' ' ' LEU . 59.5 t -59.29 -53.55 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.41 111.162 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 650' ' ' ALA . 86.2 t -55.21 -32.59 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 62.21 111.077 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 652' ' ' LEU . 24.3 mt -66.73 -52.76 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 61.41 111.152 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.72 -41.01 85.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 74.21 110.917 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.6 mtm -71.07 -55.53 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 60.13 110.838 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.6 mtm -56.81 -53.74 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.809 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.9 mt -54.91 -49.25 71.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 61.2 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.73 50.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 62.54 112.499 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.98 -32.24 81.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 43.34 112.541 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.37 -53.82 9.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 60.54 111.083 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -55.13 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 63.31 110.889 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.6 mt -56.53 -48.98 76.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.04 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -58.97 -49.26 78.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.959 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -52.13 64.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 70.01 110.947 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -52.18 -53.73 39.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.873 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.14 99.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.731 . . . . 64.01 112.454 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -53.04 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 70.51 110.862 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -51.35 56.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 51.48 47.69 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 52.49 66.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -153.25 155.26 36.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.808 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 130.59 50.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 62.52 110.795 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.31 165.84 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.849 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.863 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.878 0.37 . . . . 73.22 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -146.41 -108.04 0.54 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.688 -0.767 . . . . 74.32 112.467 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 54.58 91.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.04 110.902 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.7 m -128.82 -53.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.24 111.146 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -60.23 -14.94 20.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 70.44 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.446 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.8 mt -69.71 -33.01 71.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.872 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.8 m -59.62 -55.72 30.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.31 111.199 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.41 -49.43 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 61.24 110.985 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.3 82.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 53.5 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.446 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.6 mt -62.07 -44.09 97.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.12 110.937 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 84.9 m -59.78 -42.88 94.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 74.15 111.142 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.44 -52.5 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 74.13 111.173 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 649' ' ' ILE . . . . . 0.413 ' O ' HG23 ' B' ' 653' ' ' VAL . 62.3 mt -60.01 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 60.12 111.194 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.652 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -64.78 -39.5 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 71.12 111.07 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.79 -51.94 55.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 74.52 112.467 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.7 ' HA ' HD12 ' B' ' 655' ' ' ILE . 26.4 mt -59.26 -45.13 92.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.31 110.919 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.568 ' CG2' HD13 ' A' ' 652' ' ' LEU . 60.1 t -59.22 -53.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 650' ' ' ALA . 84.8 t -55.06 -32.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 72.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.6 mt -66.96 -52.89 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 64.05 111.153 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.56 -40.51 83.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.893 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.77 -55.47 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.5 mtm -56.8 -53.8 53.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 61.1 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.65 -49.37 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.58 51.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 72.44 112.489 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.91 -31.99 81.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 74.04 112.493 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.3 m -73.68 -53.92 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 73.14 111.073 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -55.93 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 64.11 110.823 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.16 -48.37 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 52.23 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -58.68 -49.39 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.15 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -52.6 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 71.24 110.877 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -52.14 -53.99 36.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.84 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.74 97.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 71.54 112.439 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 73.24 110.863 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -118.14 68.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.89 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -57.97 -35.81 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.49 171.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.35 110.827 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 62.16 169.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.843 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -109.83 179.59 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -109.63 162.72 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 62.01 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 22.4 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.86 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 48.2 mtt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.861 0.362 . . . . 54.21 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 140.46 144.6 4.5 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 44.51 112.519 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -117.66 -28.32 6.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.911 0.386 . . . . 75.45 110.878 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 85.5 m -93.74 -32.71 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.21 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.77 -12.42 47.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.854 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 646' ' ' LEU . 8.8 mt -70.39 -32.37 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.876 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -60.26 -54.2 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -63.68 -48.95 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 75.24 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.8 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 61.4 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.6 mt -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.9 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 83.8 m -60.61 -44.61 96.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.151 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.77 -50.75 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.136 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.22 -50.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.34 111.171 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.639 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.96 -43.47 98.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 74.03 111.068 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.94 -51.01 56.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 30.41 112.48 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.523 HD13 HG23 ' B' ' 653' ' ' VAL . 86.2 mt -59.88 -51.11 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 43.02 110.872 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.514 HG23 HD13 ' B' ' 652' ' ' LEU . 54.2 t -52.91 -52.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 72.02 111.154 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 650' ' ' ALA . 94.1 t -55.64 -36.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 63.53 111.136 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.0 mt -67.03 -52.75 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.164 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.87 -40.68 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.904 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.1 mtm -71.22 -55.02 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 63.14 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.5 -53.12 61.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 62.44 110.836 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -55.0 -49.23 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.51 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.32 53.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 71.02 112.486 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.86 79.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 73.41 112.474 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.4 m -73.46 -51.99 15.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 71.04 111.134 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -54.95 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.875 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.87 -48.5 79.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -58.87 -48.28 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.891 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -52.06 67.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 64.23 110.884 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -55.14 -32.2 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 62.21 110.882 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.73 -56.94 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 74.53 112.521 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -27.83 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 75.54 110.887 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -62.57 -47.14 85.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 72.42 110.882 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -77.62 -28.5 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.83 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -33.72 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 64.31 110.851 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -90.99 169.87 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.44 163.14 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -93.86 -31.7 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 70.1 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.35 110.845 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 73.4 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 172.7 92.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 35.44 112.518 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.0 92.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 74.43 110.837 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 81.1 m -130.57 -50.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 71.24 111.129 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -11.64 37.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.903 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.48 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.8 mt -70.74 -32.39 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.925 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.0 m -60.03 -56.35 22.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 65.13 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -62.44 -48.71 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.898 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.88 84.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 62.43 111.159 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 646' ' ' LEU . . . . . 0.48 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.5 mt -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.877 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.6 m -60.64 -44.51 96.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.01 111.116 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.78 -50.62 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.164 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.17 -50.31 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.13 111.133 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.86 -43.41 98.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.53 111.088 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.73 -51.76 50.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 34.23 112.477 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 652' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 653' ' ' VAL . 85.9 mt -59.59 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 55.42 110.912 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 653' ' ' VAL . . . . . 0.523 HG23 HD13 ' A' ' 652' ' ' LEU . 53.1 t -52.99 -51.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 53.2 111.121 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 97.1 t -55.54 -36.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 75.41 111.159 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.3 -52.83 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.45 111.151 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.67 -39.77 81.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 54.04 110.859 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -72.45 -54.98 7.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.41 -53.14 61.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 61.33 110.952 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.65 -49.61 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 62.12 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.07 54.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 61.32 112.515 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.55 79.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 74.3 112.509 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.0 m -74.04 -52.14 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 72.34 111.157 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -55.7 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.874 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.8 mt -57.45 -47.88 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -58.72 -48.63 80.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.977 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -52.4 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 72.13 110.888 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -54.83 -32.16 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 71.24 110.919 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -85.77 -21.73 52.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 33.23 112.55 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -75.21 -56.76 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 75.25 110.83 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.01 -28.64 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.4 t60 71.24 -68.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -86.19 177.05 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 54.03 110.907 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -159.86 142.64 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 75.45 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -98.28 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.96 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -82.06 176.05 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 73.14 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.836 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 55.42 111.129 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.15 -52.65 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.123 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.67 -40.75 84.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.969 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.3 mtm -71.21 -55.27 8.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.22 -52.88 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 63.1 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.08 -50.45 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.05 -51.7 56.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 45.34 112.457 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.51 -33.16 85.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.43 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.34 -51.94 15.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 63.23 111.174 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -55.13 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 63.43 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.34 -47.46 81.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 55.42 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.14 -49.07 79.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 62.33 110.898 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.4 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.835 0.35 . . . . 63.34 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -63.83 -12.48 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.837 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.7 mt -70.59 -32.37 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.2 110.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -59.93 -56.21 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 17.2 mmm -62.53 -48.82 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.9 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.7 84.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 72.53 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.9 mt -61.22 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 60.23 110.915 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 71.8 m -60.61 -44.66 96.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 75.22 111.168 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.66 -50.49 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 40.03 111.161 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.21 -50.57 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 62.3 111.187 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.661 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.62 -43.29 97.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 61.12 111.09 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.8 50.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.459 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.8 mt -59.59 -51.19 70.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 65.21 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.11 -52.07 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 75.43 111.142 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 650' ' ' ALA . 98.7 t -55.37 -36.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 60.01 111.104 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.39 -52.78 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.108 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.39 -39.92 80.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.54 110.898 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.41 -55.15 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 70.45 110.949 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.12 -53.05 62.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 55.33 110.919 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.52 -50.88 66.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.44 58.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.11 112.497 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.57 -32.83 84.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.642 -0.79 . . . . 73.25 112.439 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.1 m -73.74 -52.01 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 45.11 111.142 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -55.75 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.96 -46.91 81.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -59.85 -49.42 77.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.05 110.944 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -52.3 65.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.972 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -52.13 -53.82 38.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 71.04 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 C-N-CA 120.75 -0.738 . . . . 62.14 112.471 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.814 0.34 . . . . 73.13 111.116 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.5 mt -66.7 -52.64 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.119 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.59 -41.24 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.849 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.07 -55.55 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.866 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -56.65 -53.73 54.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 53.53 110.904 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.5 mt -54.98 -49.28 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 64.15 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.87 -52.32 53.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 73.31 112.548 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.11 80.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 74.41 112.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 51.7 m -73.47 -53.81 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 72.21 111.139 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.6 -55.08 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.13 -50.58 72.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 65.51 110.915 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -57.6 -46.72 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.916 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 72.32 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.81 -12.57 36.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.82 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.9 mt -70.61 -32.34 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 53.11 110.871 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.0 -56.18 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 70.5 111.144 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -62.52 -48.96 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 71.11 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.46 83.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 61.04 111.104 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.5 mt -61.76 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.2 m -60.32 -43.56 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 62.35 111.105 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.57 -52.13 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 62.43 111.202 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.0 mt -59.01 -46.17 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.51 111.196 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -63.86 -38.95 93.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 60.35 111.086 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.1 -52.12 54.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.466 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 655' ' ' ILE . 23.5 mt -59.02 -44.71 91.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 70.02 110.882 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.43 -53.71 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.13 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 650' ' ' ALA . 91.9 t -55.04 -32.31 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.195 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.3 mt -66.91 -52.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 60.43 111.13 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.47 -40.6 83.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 70.03 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.8 mtm -71.79 -55.52 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 74.14 110.952 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.61 -53.85 52.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.64 -49.5 70.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.866 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.99 55.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 61.53 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.42 -31.86 80.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 73.5 112.447 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.5 m -73.93 -54.11 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 65.31 111.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -56.1 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.853 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.65 -50.06 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 74.14 110.907 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.17 -47.03 82.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -52.97 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 73.13 110.944 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -52.55 -37.78 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 65.45 112.482 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.808 0.337 . . . . 72.51 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.14 -52.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 53.31 111.087 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.93 -40.72 85.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.2 mtm -71.09 -54.91 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 73.44 110.899 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.63 -53.16 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.02 -49.03 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.38 52.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 33.23 112.434 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.77 79.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 44.22 112.443 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.31 -51.05 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 62.52 111.147 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -54.98 40.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 74.52 110.886 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.96 -46.54 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.7 -49.05 79.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.788 0.328 . . . . 72.42 111.099 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.87 -12.35 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.3 mt -70.72 -32.3 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 63.25 110.902 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -56.21 24.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 71.34 111.12 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -62.58 -48.82 77.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.96 84.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 60.15 111.138 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.8 mt -61.13 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.1 110.92 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 72.3 m -60.42 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.66 -50.58 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 73.51 111.149 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.11 -50.43 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 65.54 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.33 111.121 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.06 -51.7 52.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 73.23 112.47 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' B' ' 655' ' ' ILE . 86.6 mt -59.6 -50.9 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 72.43 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.5 t -53.16 -51.95 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 64.32 111.138 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 650' ' ' ALA . 93.5 t -55.49 -36.42 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 35.43 111.119 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.31 -52.76 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 75.22 111.124 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.76 -39.85 82.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 44.5 mtm -72.28 -54.82 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 71.2 110.832 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.67 -53.27 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.918 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.26 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 74.14 112.518 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.61 -31.38 78.39 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.809 -0.71 . . . . 62.13 112.451 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.85 -51.2 17.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 73.25 111.095 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.68 -55.61 31.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.58 -46.11 84.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 63.03 110.932 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.43 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -52.46 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.946 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -52.2 -53.61 41.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 65.2 110.851 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 63.24 112.455 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.837 0.351 . . . . 65.21 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.19 -52.64 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 72.12 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.39 -52.9 63.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 35.02 110.877 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.06 -50.52 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 43.5 110.953 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.57 57.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 62.45 112.455 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.47 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 65.41 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.2 m -73.49 -53.81 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 74.34 111.148 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.14 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 61.41 110.903 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.46 -51.27 70.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.973 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.37 -46.2 80.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.22 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 73.44 110.905 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.785 0.326 . . . . 55.42 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -57.77 -16.02 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.91 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.448 ' O ' HD12 ' B' ' 646' ' ' LEU . 15.6 mt -68.62 -33.04 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.89 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.55 -55.69 31.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 74.24 111.224 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -62.68 -49.59 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.35 110.847 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 74.42 111.059 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.8 mt -61.35 -43.71 98.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.91 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.5 m -60.26 -44.36 95.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 60.34 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.66 -50.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.34 111.06 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.86 -50.89 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 74.33 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.57 -43.18 97.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.043 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 43.35 112.475 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.0 mt -59.59 -51.03 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 44.34 110.909 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 55.7 t -53.34 -52.31 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 53.15 111.14 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 97.3 t -55.11 -36.41 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 45.13 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.0 mt -67.37 -52.88 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 62.4 111.096 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.65 -39.7 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.841 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -72.47 -54.98 7.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 73.31 110.846 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.5 -52.97 63.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 74.45 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.6 -50.87 67.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.17 -51.32 59.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 54.45 112.452 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.18 -32.97 85.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 70.23 112.529 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -74.14 -54.13 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.77 0.319 . . . . 73.43 111.12 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.16 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -56.64 -50.97 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 63.54 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.21 -46.7 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 34.31 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -51.44 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -53.49 -32.13 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 70.5 110.897 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 74.11 112.44 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.12 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.51 111.133 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.94 -40.67 85.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.8 mtm -71.13 -54.96 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 61.1 110.915 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.65 -53.02 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 53.02 110.884 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.05 -49.1 72.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 71.22 110.931 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.5 52.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 44.21 112.479 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.81 79.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.482 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.44 -51.06 18.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 61.02 111.089 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -54.84 42.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 71.43 110.86 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.96 -46.5 85.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 63.45 110.926 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.23 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.814 0.34 . . . . 73.35 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -64.28 -12.11 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.816 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.487 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.6 mt -70.61 -32.46 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.91 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.94 -56.25 24.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 74.01 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -62.54 -48.75 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.86 84.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.105 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.487 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.4 mt -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 75.23 110.942 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 77.0 m -60.27 -44.61 95.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.69 -50.96 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 65.55 111.181 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.15 -50.24 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 61.12 111.123 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.78 -42.24 97.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 24.14 111.102 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.8 -51.92 52.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 71.12 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.9 mt -59.49 -50.4 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 72.3 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.55 -52.14 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.54 111.088 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.1 t -55.55 -36.15 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.148 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.5 mt -67.35 -52.84 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.15 111.114 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.7 -39.74 81.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.928 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.6 mtm -72.33 -54.97 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 65.11 110.81 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.55 -53.22 60.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.48 -49.46 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.38 52.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 72.22 112.469 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.38 78.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 51.32 112.481 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.5 m -73.87 -51.22 16.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 71.21 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -55.57 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.897 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.44 -46.19 83.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.945 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.38 -49.6 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.14 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -52.22 65.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.872 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -51.84 -53.62 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.79 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 64.42 112.493 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.855 0.36 . . . . 74.33 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.03 -52.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.51 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.57 -40.93 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.1 mtm -71.13 -55.41 8.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 70.31 110.949 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -56.96 -52.91 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.19 -50.11 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.3 110.903 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.28 59.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 53.11 112.519 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.55 -32.72 82.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 60.05 112.483 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.5 m -73.39 -51.6 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.54 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -54.92 38.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 65.34 110.92 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.35 -47.71 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 70.52 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.823 0.345 . . . . 61.14 111.105 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -12.48 36.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.486 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.3 mt -70.76 -32.54 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 64.5 110.883 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.87 -56.25 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 64.54 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -62.49 -48.95 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.859 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.02 83.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 22.32 111.109 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.486 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.1 mt -61.09 -43.66 98.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 64.21 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.7 m -60.15 -44.73 94.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.31 111.18 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.68 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.01 -50.27 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 73.13 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.99 -43.15 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 71.53 111.135 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.87 -51.9 50.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 72.01 112.499 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.5 mt -59.45 -51.03 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 73.55 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 52.5 t -53.05 -52.02 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.119 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 650' ' ' ALA . 95.2 t -55.35 -36.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.111 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 36.8 mt -67.23 -52.81 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.1 111.141 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.33 -40.05 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.34 -55.42 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 70.14 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -56.74 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.77 -50.44 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.1 60.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.837 -0.697 . . . . 45.33 112.485 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.2 81.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.664 -0.779 . . . . 61.1 112.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -74.09 -51.62 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 72.44 111.198 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -55.83 27.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 70.52 110.818 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.5 -47.42 81.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.879 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.31 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -52.2 66.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.918 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.27 -31.7 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.52 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 54.25 112.435 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.307 . . . . 74.34 111.12 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.8 mt -67.11 -52.64 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.124 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.61 -40.93 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 54.01 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.17 -55.34 8.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 52.31 110.854 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.11 -53.0 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.21 110.909 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -55.06 -50.16 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 62.02 110.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -51.53 58.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 74.24 112.509 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.18 -32.81 83.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 53.3 112.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.45 -52.14 14.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 72.51 111.179 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.89 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.86 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.04 -48.42 80.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -58.92 -47.59 84.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 71.33 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 75.53 110.966 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.813 0.339 . . . . 54.43 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.93 -19.31 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.834 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.452 ' O ' HD12 ' B' ' 646' ' ' LEU . 13.7 mt -65.48 -33.6 76.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 61.12 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.7 m -59.54 -55.62 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.081 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.28 -49.87 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.882 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.99 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 35.32 111.063 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.452 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.7 mt -60.94 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.91 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 83.6 m -60.41 -44.59 95.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 74.41 111.108 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.61 -50.21 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.165 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -50.94 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 53.53 111.083 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.661 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.49 -43.28 97.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.111 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.61 -51.79 49.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 63.03 112.447 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' B' ' 655' ' ' ILE . 84.6 mt -59.74 -51.18 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 63.11 110.91 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.0 t -52.94 -52.34 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 60.54 111.111 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.9 t -55.33 -36.39 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 60.24 111.131 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.31 -52.8 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 72.04 111.165 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.41 -39.93 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.5 mtm -72.44 -55.22 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.875 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.1 mtm -57.08 -53.08 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 72.3 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.54 -50.65 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 52.52 110.949 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.18 60.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.22 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.41 112.42 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 54.9 m -74.0 -52.3 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 65.21 111.15 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.89 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 62.52 110.868 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.32 -47.96 80.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -58.77 -47.85 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -52.04 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 73.42 110.986 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -56.11 -30.22 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.904 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 74.5 112.525 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.705 0.288 . . . . 65.11 111.09 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.0 -52.8 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 52.43 111.176 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.74 -40.72 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.05 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -71.15 -55.33 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.12 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.4 mtm -57.21 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 62.12 110.885 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -54.95 -48.93 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 54.04 110.904 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.8 -52.96 49.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 63.3 112.453 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.74 79.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 62.13 112.523 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.3 m -73.36 -51.24 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 74.12 111.133 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -54.9 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 70.23 110.907 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.76 -46.64 84.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 70.3 110.941 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.76 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 72.4 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.907 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.83 0.348 . . . . 72.31 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -63.57 -12.79 35.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.854 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.46 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.2 mt -70.46 -32.41 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 70.2 110.921 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -59.99 -56.2 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 75.01 111.088 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 43.1 mmm -62.45 -49.19 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 60.23 110.899 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.4 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 64.22 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.8 mt -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 72.3 110.947 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 89.0 m -60.44 -44.27 95.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 54.54 111.13 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.27 -50.74 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 61.45 111.147 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.87 -50.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.51 111.101 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.96 -42.09 97.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 62.41 111.074 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.7 54.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 53.41 112.494 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 655' ' ' ILE . 88.0 mt -59.49 -50.1 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 71.01 110.937 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.23 -52.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 64.52 111.118 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 92.6 t -55.14 -36.17 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 40.41 111.176 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.2 mt -67.24 -53.08 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 71.33 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.46 -39.84 81.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 55.42 110.916 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -72.23 -55.37 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.883 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -57.2 -53.16 61.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 44.02 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.45 -49.42 70.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.83 -52.62 51.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 64.31 112.49 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.33 78.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 75.33 112.488 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.1 m -73.81 -51.37 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 71.51 111.092 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -55.58 32.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 75.13 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.29 -46.32 83.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.951 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.42 -49.65 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.924 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.86 67.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 73.54 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.08 -53.68 39.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 72.01 110.822 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 53.12 112.451 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 73.44 111.142 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.07 -52.8 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 64.23 111.147 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -40.78 84.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 65.41 110.897 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.9 mtm -71.23 -55.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.23 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 52.55 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.11 -50.64 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.22 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -50.74 64.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.462 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.44 -33.16 83.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.704 -0.76 . . . . 65.33 112.509 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.6 m -73.47 -53.56 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 74.04 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -54.99 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 52.4 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.37 -51.27 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.899 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.06 -45.0 79.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.933 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 73.04 110.95 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 54.11 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.86 -12.31 35.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.803 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.0 mt -70.81 -32.25 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 73.33 110.927 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.02 -56.1 25.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.54 111.232 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.71 -48.83 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.927 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.3 mt -61.65 -43.25 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.962 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 81.0 m -60.75 -44.16 97.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 72.33 111.132 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.41 -50.93 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 71.13 111.135 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.84 -49.51 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 63.03 111.116 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -61.29 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 53.31 111.122 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.23 -51.55 53.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 52.45 112.446 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' B' ' 655' ' ' ILE . 89.2 mt -59.47 -50.68 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 63.41 110.925 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.75 -51.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.43 111.151 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 650' ' ' ALA . 96.6 t -55.15 -36.5 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.13 111.084 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.4 mt -67.44 -52.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 62.3 111.1 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.45 -39.79 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.8 mtm -72.43 -55.21 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 71.55 110.924 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.07 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 44.25 110.818 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.68 -51.11 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -50.43 67.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 61.2 112.505 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.25 -32.67 82.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.477 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.29 -53.65 9.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 74.32 111.205 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.25 -56.13 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 64.54 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -50.83 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.908 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -55.68 -45.49 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 61.51 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -52.05 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.899 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -52.29 -31.69 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.818 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 74.31 112.455 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.351 . . . . 72.34 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.07 -52.7 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.51 111.136 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.8 -40.68 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.4 mtm -71.22 -55.24 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 64.1 110.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.23 -53.12 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 54.42 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.0 -49.61 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 63.22 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.01 -51.99 55.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 65.12 112.473 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.14 -32.59 82.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 53.35 112.513 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.34 -52.68 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 63.24 111.158 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.0 -55.14 34.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 74.32 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.22 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.44 -43.49 96.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 54.32 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.22 110.912 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.6 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.825 0.345 . . . . 65.5 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -64.26 -12.05 37.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 73.21 110.895 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.5 mt -70.75 -32.29 69.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.13 -56.27 23.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.054 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.63 -48.71 78.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.14 110.836 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.68 84.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 44.51 111.086 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.0 mt -61.25 -43.44 98.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 72.33 110.922 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 75.0 m -60.5 -44.67 95.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 71.21 111.107 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.53 -50.49 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.57 -50.36 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.112 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.658 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.83 -43.11 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.34 111.087 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.84 -51.89 50.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 64.32 112.46 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.4 mt -59.7 -51.12 71.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.842 0.354 . . . . 74.15 110.838 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.8 t -52.97 -52.16 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 71.22 111.127 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 650' ' ' ALA . 99.4 t -55.51 -36.37 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 65.4 111.09 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.31 -52.87 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 74.25 111.138 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.52 -39.82 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.44 -55.06 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.28 -53.2 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -54.53 -49.84 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 72.33 110.967 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.83 56.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 72.22 112.471 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.11 81.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 62.53 112.446 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.85 -52.73 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 73.32 111.098 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.9 -56.04 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.99 -47.63 80.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.954 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -60.04 -44.05 94.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.93 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.47 56.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -51.89 -38.27 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.54 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 72.43 112.52 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.762 0.315 . . . . 73.43 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.84 -52.62 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.063 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.8 -41.07 85.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 37.2 mtm -70.99 -55.47 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 72.23 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.9 mtm -56.83 -53.78 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 64.23 110.829 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.1 mt -55.08 -48.58 73.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.16 -53.23 46.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 51.42 112.471 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.0 -31.96 81.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 53.34 112.457 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.44 -53.72 10.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 73.14 111.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -55.08 35.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 51.53 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.67 -49.5 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 72.43 110.963 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.72 -48.5 80.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.865 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.834 0.349 . . . . 61.5 111.059 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -64.14 -12.11 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 51.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.7 mt -70.78 -32.41 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 62.32 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.03 -56.14 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 63.41 111.161 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 78.5 mtm -62.6 -48.72 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.889 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.3 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.145 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.2 mt -61.91 -43.63 98.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 64.22 110.933 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.36 -43.63 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 71.23 111.1 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.4 -52.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.13 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 23.35 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.664 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -63.62 -39.68 94.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 62.32 111.153 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.47 -52.06 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 75.22 112.466 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' B' ' 655' ' ' ILE . 28.4 mt -58.95 -45.12 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 73.11 110.927 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 63.7 t -59.19 -53.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 54.01 111.134 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.5 t -54.92 -32.57 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.21 111.092 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' B' ' 652' ' ' LEU . 23.8 mt -66.84 -52.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.127 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.5 -40.59 83.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.931 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 36.9 mtm -71.76 -55.47 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 63.33 110.841 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.76 -54.05 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 70.5 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.929 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.03 48.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 62.33 112.501 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.04 -31.7 80.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 64.02 112.46 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 49.5 m -73.55 -54.05 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 74.2 111.204 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -55.97 24.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.926 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.01 -49.29 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 74.41 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -58.33 -48.69 79.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 72.53 110.925 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -52.54 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -53.35 -53.97 43.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.892 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 23.22 112.465 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.738 0.304 . . . . 70.11 111.087 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.3 mt -66.97 -52.75 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.53 -40.92 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 52.44 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.14 -55.37 8.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.874 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.01 -53.13 61.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.768 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.01 -50.16 69.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 72.43 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.8 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.716 . . . . 62.44 112.486 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.07 -32.66 83.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 61.3 112.514 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.42 -51.55 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 72.34 111.127 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -55.0 39.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 62.43 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.55 -47.03 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -60.61 -48.77 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.321 . . . . 75.24 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -11.94 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.854 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.475 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.0 mt -70.59 -32.28 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 43.11 111.178 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -62.69 -48.87 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.829 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.47 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 52.42 111.099 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.475 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.7 mt -61.39 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 63.51 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.4 m -60.63 -44.79 95.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.44 111.129 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.65 -50.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 73.12 111.138 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.88 -50.49 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 62.22 111.148 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.74 -43.2 98.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.45 111.035 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.9 -51.75 51.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 64.43 112.461 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.9 mt -59.63 -51.09 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 51.55 110.942 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.9 t -53.15 -52.14 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.04 111.081 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 650' ' ' ALA . 99.8 t -55.2 -36.65 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 70.53 111.165 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.15 -52.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 63.25 111.072 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.34 -40.01 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.02 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.35 -55.36 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.51 110.851 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -56.9 -53.08 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.7 -50.48 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 55.54 110.941 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -51.54 57.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.04 112.453 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.41 82.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 73.11 112.524 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.0 m -73.83 -51.62 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 63.44 111.136 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -55.79 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 71.4 110.866 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.12 -46.69 82.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -60.17 -49.08 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 70.23 110.923 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -52.58 64.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 63.4 110.921 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.61 -54.01 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 72.24 112.526 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 73.42 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.66 -52.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.23 111.085 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.99 -40.72 85.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 54.9 mtm -71.16 -55.41 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 72.4 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 23.8 mtm -57.03 -53.42 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.859 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.0 -50.36 69.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 61.1 110.881 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.4 58.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 62.12 112.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.79 -33.3 85.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 51.2 112.507 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -73.46 -53.88 9.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 74.31 111.184 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -55.06 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.36 -51.27 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 53.41 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.67 -45.79 81.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.91 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.87 0.367 . . . . 75.3 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.27 -11.9 36.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.854 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 646' ' ' LEU . 5.6 mt -70.93 -32.86 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 55.53 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.49 -55.99 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.149 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.77 -49.3 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.888 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.9 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 22.33 111.071 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.2 mt -62.72 -43.4 98.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.959 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.4 m -60.38 -42.51 96.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 62.21 111.135 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.17 -52.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 63.41 111.075 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . 0.425 ' O ' HG23 ' B' ' 653' ' ' VAL . 60.9 mt -60.94 -44.47 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 74.04 111.13 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.649 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -65.43 -40.62 93.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -58.88 -52.13 55.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 51.34 112.514 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 655' ' ' ILE . 36.5 mt -58.95 -45.7 89.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.328 . . . . 55.21 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 649' ' ' ILE . 56.5 t -58.93 -53.19 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 63.31 111.052 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.649 HG23 ' O ' ' B' ' 650' ' ' ALA . 87.0 t -54.88 -32.91 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.145 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.0 mt -66.9 -52.99 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.097 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.65 -40.04 82.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 55.0 mtm -72.14 -55.41 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 23.6 mtm -56.98 -53.51 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 44.45 110.888 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.8 mt -54.49 -50.55 67.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 52.2 110.922 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.44 58.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 43.22 112.476 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.86 -32.65 83.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 54.34 112.457 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.6 m -73.94 -54.52 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.32 111.164 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -56.04 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 51.43 110.897 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.55 -50.8 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.875 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.57 -46.51 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 60.55 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 73.35 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -53.71 -32.79 53.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 53.41 110.911 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.666 -0.778 . . . . 75.14 112.511 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 73.02 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.03 -52.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 70.22 111.141 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.04 -40.61 85.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 61.33 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.9 mtm -71.17 -54.88 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.861 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.7 -53.08 62.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 62.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.08 -48.95 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.0 -52.54 51.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 62.42 112.46 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.86 79.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 62.44 112.533 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 48.1 m -73.32 -52.39 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 73.23 111.124 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -55.0 36.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.87 -49.09 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -58.27 -47.88 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.881 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 74.12 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.96 -14.32 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.836 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 646' ' ' LEU . 14.3 mt -70.84 -32.37 69.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 65.04 110.927 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.5 m -60.01 -55.97 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.142 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.65 -49.09 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.944 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.66 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.071 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.447 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.6 mt -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.917 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 82.6 m -60.35 -44.37 95.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.19 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.56 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 53.13 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.89 -50.56 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.064 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.59 -43.23 97.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.093 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 71.33 112.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 655' ' ' ILE . 84.0 mt -59.63 -51.26 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 73.45 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.4 t -52.96 -51.99 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.136 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 650' ' ' ALA . 98.3 t -55.61 -36.28 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 55.21 111.105 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.1 mt -67.31 -52.79 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.01 111.153 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.71 -39.76 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 52.33 110.929 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.0 mtm -72.39 -54.71 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.22 110.87 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.69 -53.24 60.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 64.22 110.851 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.52 -49.35 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.909 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.34 52.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 55.42 112.456 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.39 -31.3 78.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 55.42 112.518 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 48.7 m -74.06 -52.45 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 62.12 111.205 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.77 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.867 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.21 -48.63 78.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -58.27 -48.06 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.9 -52.17 66.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.916 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.37 -30.68 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.32 110.925 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 65.33 112.512 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 74.5 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 54.32 111.189 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.72 -40.82 84.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.935 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 49.1 mtm -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.27 -53.23 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.821 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.0 -49.27 71.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 61.53 110.922 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.04 54.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 63.13 112.409 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.07 79.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.761 -0.733 . . . . 71.31 112.449 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.4 m -73.31 -50.77 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 70.32 111.129 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.883 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.92 -45.73 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -62.22 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 72.44 110.96 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.754 0.311 . . . . 74.43 111.149 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.98 -12.23 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.03 110.825 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.489 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.9 mt -70.8 -32.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 64.35 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.97 -56.17 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 61.4 111.145 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 67.8 mtm -62.61 -48.7 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 63.12 110.865 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.74 84.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.489 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.2 mt -61.25 -43.42 98.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.9 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.3 m -60.44 -44.75 95.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.31 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.43 -50.45 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.084 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -50.94 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.114 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.675 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.6 -44.14 96.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.116 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.73 -51.73 46.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 63.34 112.539 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' B' ' 655' ' ' ILE . 84.2 mt -59.65 -51.48 69.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 75.23 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 54.4 t -52.7 -52.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.043 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 650' ' ' ALA . 63.0 t -55.55 -36.19 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.068 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.7 mt -67.26 -52.91 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.096 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.44 -39.94 81.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.934 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.8 mtm -72.45 -55.1 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 73.24 110.838 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.7 mtm -57.23 -53.16 61.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.872 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.65 -49.76 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.893 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.68 -51.61 57.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 71.14 112.489 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.83 -31.73 79.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 74.51 112.512 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.8 -50.72 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 61.15 111.112 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -55.83 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.66 -45.46 85.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 71.34 110.848 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.92 -46.16 90.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.972 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -53.21 60.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 65.14 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -53.11 -53.35 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 70.33 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 73.25 112.519 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.827 0.346 . . . . 52.43 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.46 -46.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.51 111.147 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.91 -42.56 99.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.957 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 48.4 mtm -71.24 -45.98 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 71.0 110.798 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.07 -55.25 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 63.31 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.87 -46.05 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 54.04 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.15 -53.57 43.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 63.2 112.484 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.55 76.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 43.02 112.471 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.4 m -73.28 -53.86 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 74.33 111.137 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -55.03 31.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.42 . . . . 72.45 110.845 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.89 -50.39 73.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 64.12 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -57.05 -46.05 82.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 62.43 110.939 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.833 0.349 . . . . 73.22 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -12.48 37.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.82 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.482 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.9 mt -70.86 -32.57 69.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -62.51 -48.99 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 65.11 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.99 -41.71 83.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 65.1 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.482 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.7 mt -61.38 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 74.14 110.962 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.9 m -60.51 -44.25 96.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 74.14 111.141 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.11 -50.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 64.13 111.088 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.82 -50.07 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 73.52 111.164 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.656 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -62.38 -41.0 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.52 111.044 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.89 -51.6 54.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.798 -0.715 . . . . 54.23 112.464 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' B' ' 655' ' ' ILE . 65.1 mt -61.29 -50.49 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 74.14 110.867 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 43.0 t -52.45 -49.84 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 650' ' ' ALA . 88.7 t -58.55 -37.32 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.22 111.126 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' B' ' 652' ' ' LEU . 40.0 mt -66.73 -46.61 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 72.42 111.088 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -62.7 -41.83 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 64.52 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.3 mtm -72.22 -45.78 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 55.22 110.943 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . 0.41 ' HE2' HG12 ' B' ' 654' ' ' VAL . 24.6 mtm -65.17 -55.59 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 54.02 110.887 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -53.96 -46.47 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.946 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.34 -53.73 41.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 53.21 112.483 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.59 75.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 71.3 112.515 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.19 -54.61 7.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 53.15 111.132 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.87 -55.49 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.901 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.23 -50.09 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 73.01 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.83 -46.3 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.935 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -52.42 64.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.53 -31.74 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 62.53 110.809 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 55.52 112.48 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 75.12 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.08 -52.71 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 74.24 111.126 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.84 -40.62 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -71.17 -55.1 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 63.05 110.894 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.45 -52.92 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 73.24 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -54.97 -50.55 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.88 55.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 74.11 112.454 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.19 85.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 71.13 112.494 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -73.39 -52.17 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 74.43 111.152 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -55.07 38.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 71.1 110.85 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.16 -47.38 81.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 65.12 110.934 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.17 -49.59 77.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 72.23 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 66.9 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.877 0.37 . . . . 71.32 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -64.03 -12.4 38.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 62.32 110.885 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.481 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.8 mt -70.77 -32.41 69.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 62.54 110.867 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.95 -56.22 24.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 64.31 111.11 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -62.59 -48.79 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 64.13 110.797 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.85 84.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 54.53 111.101 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.3 mt -61.11 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.24 -44.7 95.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.097 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.54 -50.38 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.093 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.91 -50.9 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 54.54 111.183 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.653 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.5 -42.88 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.063 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.04 -51.78 51.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 75.03 112.449 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 655' ' ' ILE . 83.7 mt -59.81 -50.95 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 72.3 110.908 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.19 -52.39 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 52.33 111.104 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 650' ' ' ALA . 96.9 t -55.25 -36.4 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.23 111.104 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.34 -52.96 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 62.31 111.125 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.57 -39.61 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.3 mtm -72.6 -54.93 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 64.2 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.49 -52.89 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 64.03 110.861 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.65 -50.96 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.14 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.02 -51.56 57.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 73.41 112.443 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.29 -33.0 85.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.783 -0.723 . . . . 63.23 112.44 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.72 -52.27 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 51.41 111.151 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -55.85 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 62.41 110.769 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.82 -46.85 81.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.3 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -59.89 -49.76 76.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.913 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -52.27 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.879 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.49 -53.91 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.21 110.9 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 73.42 112.493 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 72.42 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.05 -52.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.202 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.73 -40.72 84.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.18 -55.53 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.859 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.9 mtm -56.93 -53.12 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 75.33 110.906 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.13 -49.68 71.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.51 110.932 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.07 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 64.32 112.509 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.28 -32.23 81.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.815 -0.707 . . . . 53.44 112.455 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.5 m -73.49 -51.56 16.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 73.33 111.135 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -54.89 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.7 -47.27 82.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 62.44 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -60.17 -48.84 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 75.15 110.927 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.872 0.367 . . . . 73.12 111.156 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.52 -12.81 35.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.803 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.461 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.7 mt -70.85 -32.25 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 63.22 110.904 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.0 -55.95 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 73.4 111.131 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.9 -48.94 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 75.32 110.925 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.97 83.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.094 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.1 mt -62.11 -43.07 99.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.955 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 86.9 m -60.92 -43.71 98.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 73.3 111.146 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.52 -51.27 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.32 111.109 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.07 -48.32 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 53.52 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.67 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -62.07 -42.5 99.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.06 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.38 56.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.766 -0.731 . . . . 73.4 112.423 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' B' ' 655' ' ' ILE . 93.1 mt -59.15 -49.84 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 73.31 110.951 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.69 -51.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.107 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 650' ' ' ALA . 86.9 t -55.36 -36.28 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 55.22 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 652' ' ' LEU . 36.2 mt -67.41 -53.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.064 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.4 -39.86 80.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.883 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.9 mtm -72.39 -55.39 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.41 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.5 mtm -56.92 -53.18 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.872 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -54.71 -50.12 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 42.53 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.78 56.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 63.4 112.489 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 51.51 112.459 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.4 m -73.91 -51.68 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 64.21 111.174 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.29 -55.64 30.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.885 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.53 -46.71 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.03 110.869 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.89 -49.05 79.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 62.11 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -52.53 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -52.45 -53.92 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 53.23 110.855 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 53.3 112.501 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.758 0.313 . . . . 62.21 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.73 -52.76 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 61.41 111.152 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.72 -41.01 85.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 74.21 110.917 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.6 mtm -71.07 -55.53 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 60.13 110.838 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.6 mtm -56.81 -53.74 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.809 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.9 mt -54.91 -49.25 71.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 61.2 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.73 50.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 62.54 112.499 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.98 -32.24 81.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 43.34 112.541 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.37 -53.82 9.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 60.54 111.083 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -55.13 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 63.31 110.889 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.6 mt -56.53 -48.98 76.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.04 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -58.97 -49.26 78.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.959 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 70.01 110.947 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.836 0.351 . . . . 74.24 111.146 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -60.23 -14.94 20.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 70.44 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.446 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.8 mt -69.71 -33.01 71.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.872 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.8 m -59.62 -55.72 30.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.31 111.199 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.41 -49.43 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 61.24 110.985 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.3 82.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 53.5 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.446 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.6 mt -62.07 -44.09 97.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.12 110.937 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 84.9 m -59.78 -42.88 94.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 74.15 111.142 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.44 -52.5 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 74.13 111.173 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . 0.413 ' O ' HG23 ' B' ' 653' ' ' VAL . 62.3 mt -60.01 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 60.12 111.194 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.652 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -64.78 -39.5 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 71.12 111.07 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.79 -51.94 55.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 74.52 112.467 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.7 ' HA ' HD12 ' B' ' 655' ' ' ILE . 26.4 mt -59.26 -45.13 92.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.31 110.919 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 649' ' ' ILE . 60.1 t -59.22 -53.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 650' ' ' ALA . 84.8 t -55.06 -32.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 72.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.6 mt -66.96 -52.89 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 64.05 111.153 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.56 -40.51 83.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.893 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.77 -55.47 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.5 mtm -56.8 -53.8 53.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 61.1 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.65 -49.37 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.58 51.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 72.44 112.489 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.91 -31.99 81.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 74.04 112.493 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.3 m -73.68 -53.92 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 73.14 111.073 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -55.93 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 64.11 110.823 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.16 -48.37 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 52.23 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -58.68 -49.39 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.15 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -52.6 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 71.24 110.877 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -52.14 -53.99 36.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.84 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 71.54 112.439 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.782 0.325 . . . . 63.53 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 35.0 mt -67.03 -52.75 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.164 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.87 -40.68 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.904 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.1 mtm -71.22 -55.02 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 63.14 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.5 -53.12 61.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 62.44 110.836 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -55.0 -49.23 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.51 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.32 53.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 71.02 112.486 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.86 79.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 73.41 112.474 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.4 m -73.46 -51.99 15.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 71.04 111.134 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -54.95 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.875 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.87 -48.5 79.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -58.87 -48.28 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.891 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 64.23 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.906 0.384 . . . . 71.24 111.129 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -11.64 37.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.903 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.48 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.8 mt -70.74 -32.39 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.925 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.0 m -60.03 -56.35 22.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 65.13 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -62.44 -48.71 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.898 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.88 84.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 62.43 111.159 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 646' ' ' LEU . . . . . 0.48 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.5 mt -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.877 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.6 m -60.64 -44.51 96.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.01 111.116 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.78 -50.62 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.164 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.17 -50.31 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.13 111.133 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.86 -43.41 98.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.53 111.088 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.73 -51.76 50.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 34.23 112.477 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 652' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.9 mt -59.59 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 55.42 110.912 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 653' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.99 -51.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 53.2 111.121 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 97.1 t -55.54 -36.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 75.41 111.159 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.3 -52.83 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.45 111.151 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.67 -39.77 81.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 54.04 110.859 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -72.45 -54.98 7.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.41 -53.14 61.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 61.33 110.952 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.65 -49.61 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 62.12 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.07 54.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 61.32 112.515 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.55 79.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 74.3 112.509 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.0 m -74.04 -52.14 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 72.34 111.157 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -55.7 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.874 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.8 mt -57.45 -47.88 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -58.72 -48.63 80.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.977 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -52.4 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 72.13 110.888 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -54.83 -32.16 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 71.24 110.919 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 33.23 112.55 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 73.32 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -179.26 -54.58 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.698 -0.763 . . . . 70.35 112.496 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.4 -20.09 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.03 110.882 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 84.8 m -77.32 -31.37 54.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 74.23 111.082 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -63.87 -13.53 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 73.02 110.865 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.8 mt -70.21 -32.38 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 54.43 110.857 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.29 -54.07 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 64.02 111.134 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 16.7 mmm -63.81 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 60.23 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.58 84.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 72.12 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.9 mt -61.15 -43.31 99.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.894 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 81.1 m -60.9 -44.57 96.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 62.53 111.089 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.77 -50.39 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 71.42 111.183 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.34 -50.37 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.12 111.161 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.71 -43.4 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 51.13 111.048 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.94 -51.03 56.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 75.25 112.516 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.521 HD13 HG23 ' B' ' 653' ' ' VAL . 85.5 mt -59.97 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 75.21 110.881 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.509 HG23 HD13 ' B' ' 652' ' ' LEU . 55.0 t -53.11 -52.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.34 111.092 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 650' ' ' ALA . 98.6 t -55.46 -36.52 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 55.42 111.129 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.7 mt -67.15 -52.65 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 73.25 111.123 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.67 -40.75 84.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.969 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.3 mtm -71.21 -55.27 8.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.22 -52.88 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 63.1 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -55.08 -50.45 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 64.43 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.05 -51.7 56.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 45.34 112.457 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.51 -33.16 85.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.43 112.527 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.34 -51.94 15.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 63.23 111.174 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -55.13 37.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 63.43 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.34 -47.46 81.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 55.42 110.882 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.14 -49.07 79.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -52.13 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.486 . . . . 62.33 110.898 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.18 -53.67 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 71.44 110.843 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.17 99.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 63.2 112.515 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -54.28 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 63.41 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -67.27 -25.98 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -46.28 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.44 110.777 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.2 130.28 56.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 71.45 110.899 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -84.78 -29.86 25.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.03 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.19 165.88 24.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 75.4 110.905 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 158.15 31.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.876 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.869 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 74.2 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 138.21 97.92 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 50.54 112.472 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 92.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 75.3 110.942 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.4 m -129.06 -50.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 63.34 111.14 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -63.83 -12.48 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.837 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.7 mt -70.59 -32.37 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.2 110.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -59.93 -56.21 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 17.2 mmm -62.53 -48.82 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.9 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.7 84.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 72.53 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.9 mt -61.22 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 60.23 110.915 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 71.8 m -60.61 -44.66 96.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 75.22 111.168 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.66 -50.49 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 40.03 111.161 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.21 -50.57 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 62.3 111.187 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.661 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.62 -43.29 97.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 61.12 111.09 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.8 50.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.459 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.509 HD13 HG23 ' A' ' 653' ' ' VAL . 85.8 mt -59.59 -51.19 70.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 65.21 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 652' ' ' LEU . 54.2 t -53.11 -52.07 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 75.43 111.142 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 650' ' ' ALA . 98.7 t -55.37 -36.4 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 60.01 111.104 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.39 -52.78 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.108 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.39 -39.92 80.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 75.54 110.898 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.41 -55.15 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 70.45 110.949 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.12 -53.05 62.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 55.33 110.919 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.52 -50.88 66.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -51.44 58.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.11 112.497 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.57 -32.83 84.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.642 -0.79 . . . . 73.25 112.439 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.1 m -73.74 -52.01 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 45.11 111.142 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -55.75 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.2 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.96 -46.91 81.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -59.85 -49.42 77.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.05 110.944 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -52.3 65.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.972 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -52.13 -53.82 38.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 71.04 110.844 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.25 -41.75 99.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.75 -0.738 . . . . 62.14 112.471 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -61.36 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 70.53 110.871 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.55 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -56.73 -27.97 60.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -52.39 138.17 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -53.4 164.85 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 64.54 110.782 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -90.86 159.27 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.861 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -126.65 45.22 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.838 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 72.44 110.839 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 12.0 mtm . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.794 0.331 . . . . 51.41 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 129.28 99.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 61.3 112.493 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -117.46 -20.54 9.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.15 110.873 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 87.3 m -76.95 -31.39 56.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 54.01 111.087 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -63.7 -13.72 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 74.42 110.852 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 646' ' ' LEU . 10.0 mt -70.23 -32.4 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 62.4 110.921 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.26 -54.08 50.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 72.1 111.127 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 15.5 mmt -63.79 -49.22 73.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 64.13 110.907 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.31 84.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 61.32 111.084 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.5 mt -61.68 -43.75 98.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.924 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 89.2 m -60.4 -43.51 96.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 75.45 111.104 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.44 -52.33 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.34 111.146 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.99 -45.91 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 63.13 111.15 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -63.62 -39.05 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 73.44 111.077 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.41 -51.11 60.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 33.24 112.459 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.707 ' HA ' HD12 ' A' ' 655' ' ' ILE . 24.4 mt -59.55 -44.74 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 74.15 110.879 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' B' ' 652' ' ' LEU . 57.0 t -59.48 -53.54 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 72.01 111.102 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 650' ' ' ALA . 93.5 t -55.13 -32.6 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.116 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 652' ' ' LEU . 24.5 mt -66.7 -52.64 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.119 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.59 -41.24 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.849 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.07 -55.55 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.866 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -56.65 -53.73 54.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 53.53 110.904 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.5 mt -54.98 -49.28 71.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 64.15 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.87 -52.32 53.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 73.31 112.548 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.11 80.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 74.41 112.526 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 51.7 m -73.47 -53.81 9.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 72.21 111.139 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.6 -55.08 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.13 -50.58 72.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 65.51 110.915 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -57.6 -46.72 83.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.916 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -52.15 66.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.904 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -52.23 -37.06 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.3 110.881 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -78.11 -57.59 3.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 75.41 112.45 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -27.22 18.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.928 0.394 . . . . 74.12 110.886 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -25.81 17.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.881 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.863 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -108.6 150.01 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.88 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -114.02 113.07 24.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.918 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -89.62 130.88 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.25 110.844 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -69.69 -54.82 12.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 12.6 m170 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.949 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.877 0.37 . . . . 73.35 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 128.1 83.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 23.33 112.516 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.24 92.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 74.32 110.884 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 85.6 m -130.35 -50.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 72.32 111.17 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.81 -12.57 36.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.82 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.9 mt -70.61 -32.34 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 53.11 110.871 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.0 -56.18 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 70.5 111.144 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -62.52 -48.96 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 71.11 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.46 83.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 61.04 111.104 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.5 mt -61.76 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.2 m -60.32 -43.56 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 62.35 111.105 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.57 -52.13 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 62.43 111.202 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.0 mt -59.01 -46.17 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.51 111.196 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -63.86 -38.95 93.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 60.35 111.086 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -60.1 -52.12 54.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.466 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 655' ' ' ILE . 23.5 mt -59.02 -44.71 91.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 70.02 110.882 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.581 ' CG2' HD13 ' A' ' 652' ' ' LEU . 59.3 t -59.43 -53.71 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.13 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 650' ' ' ALA . 91.9 t -55.04 -32.31 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.195 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.3 mt -66.91 -52.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 60.43 111.13 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.47 -40.6 83.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 70.03 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.8 mtm -71.79 -55.52 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 74.14 110.952 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.61 -53.85 52.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.64 -49.5 70.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.866 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.99 55.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.757 -0.735 . . . . 61.53 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.42 -31.86 80.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 73.5 112.447 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.5 m -73.93 -54.11 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 65.31 111.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -56.1 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.853 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.65 -50.06 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 74.14 110.907 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -57.17 -47.03 82.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -52.97 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 73.13 110.944 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -52.55 -37.78 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.3 -35.39 37.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 65.45 112.482 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -60.08 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 75.41 110.891 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -120.59 69.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 75.4 110.888 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -70.27 -42.76 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.02 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -54.66 -50.19 68.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.819 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 63.34 110.847 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 -169.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 53.24 110.874 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.24 89.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.04 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 71.24 110.835 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.756 0.312 . . . . 70.45 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 92.31 101.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 55.14 112.478 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -117.56 -20.19 9.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 61.33 110.893 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 95.7 m -77.36 -31.15 54.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.12 111.185 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.91 -13.69 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 75.53 110.798 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.5 mt -70.11 -32.38 70.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 54.11 110.971 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.24 -54.08 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 65.02 111.153 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -63.71 -49.27 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.81 84.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.152 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.8 mt -60.98 -43.44 98.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.01 110.922 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 78.1 m -60.62 -44.77 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 72.02 111.115 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.6 -50.66 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 62.54 111.16 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.2 -50.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 74.04 111.112 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.75 -43.31 98.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.054 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.15 -51.1 56.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.812 -0.708 . . . . 60.42 112.472 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.525 HD13 HG23 ' B' ' 653' ' ' VAL . 86.1 mt -59.81 -50.94 71.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 72.11 110.891 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.516 HG23 HD13 ' B' ' 652' ' ' LEU . 53.9 t -53.14 -51.95 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.31 111.081 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 650' ' ' ALA . 91.8 t -55.66 -36.4 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.51 111.182 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.7 mt -67.14 -52.66 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 53.31 111.087 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.93 -40.72 85.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.2 mtm -71.09 -54.91 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 73.44 110.899 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -57.63 -53.16 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.02 -49.03 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.38 52.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 33.23 112.434 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.77 79.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 44.22 112.443 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.31 -51.05 18.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 62.52 111.147 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -54.98 40.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 74.52 110.886 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.96 -46.54 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.7 -49.05 79.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -52.15 65.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.865 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -51.99 -53.62 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 73.14 110.965 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.78 -41.11 99.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 64.51 112.517 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.1 35.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.335 . . . . 72.13 110.917 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -67.04 -39.44 86.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -54.0 -32.73 55.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.816 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 174.0 9.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.288 -0.415 . . . . 71.35 110.789 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -91.96 123.39 35.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.835 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -132.72 130.27 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.14 -29.75 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.11 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.824 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 34.9 ttm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 71.35 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 173.17 85.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 64.22 112.522 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.61 92.64 1.6 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.374 . . . . 65.43 110.847 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.7 m -129.49 -50.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.099 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.87 -12.35 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.472 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.3 mt -70.72 -32.3 69.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 63.25 110.902 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -56.21 24.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 71.34 111.12 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.2 mtm -62.58 -48.82 77.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.96 84.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 60.15 111.138 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.8 mt -61.13 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.1 110.92 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 72.3 m -60.42 -44.77 95.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.66 -50.58 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 73.51 111.149 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.11 -50.43 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 65.54 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.33 111.121 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.06 -51.7 52.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 73.23 112.47 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 653' ' ' VAL . 86.6 mt -59.6 -50.9 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.347 . . . . 72.43 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.525 HG23 HD13 ' A' ' 652' ' ' LEU . 53.5 t -53.16 -51.95 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 64.32 111.138 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 650' ' ' ALA . 93.5 t -55.49 -36.42 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 35.43 111.119 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.31 -52.76 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 75.22 111.124 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.76 -39.85 82.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.858 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 44.5 mtm -72.28 -54.82 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 71.2 110.832 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.67 -53.27 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.918 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.73 -52.26 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 74.14 112.518 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.61 -31.38 78.39 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.809 -0.71 . . . . 62.13 112.451 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.85 -51.2 17.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 73.25 111.095 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.68 -55.61 31.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.58 -46.11 84.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 63.03 110.932 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.43 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.936 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -52.46 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.946 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -52.2 -53.61 41.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 65.2 110.851 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.33 99.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 63.24 112.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 74.54 110.934 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -117.94 68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.901 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -51.84 -37.97 54.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.909 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -92.45 99.79 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 74.11 110.923 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -149.04 -64.29 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.828 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 60.78 35.44 19.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 74.11 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 71.4 -70.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 63.03 110.819 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 71.22 110.862 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 27.0 mtt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 75.45 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.51 144.68 8.64 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.04 112.51 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -123.65 -33.92 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 72.32 110.93 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 91.4 m -75.14 -34.18 61.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 62.31 111.22 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -59.2 -17.5 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 53.25 110.828 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 646' ' ' LEU . 14.8 mt -68.41 -33.0 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 75.55 110.993 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.83 -53.98 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 54.44 111.167 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -63.59 -49.96 71.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.856 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.84 -41.44 82.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 22.3 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 642' ' ' LEU . 8.0 mt -61.28 -43.82 98.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 62.31 110.903 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 89.9 m -60.37 -44.39 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 65.31 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.7 -50.36 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 72.11 111.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.05 -50.65 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 75.24 111.098 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.48 -43.35 97.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 64.21 111.139 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.14 55.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 55.14 112.501 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.519 HD13 HG23 ' B' ' 653' ' ' VAL . 84.8 mt -59.87 -50.83 72.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 70.23 110.906 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.504 HG23 HD13 ' B' ' 652' ' ' LEU . 55.8 t -53.24 -52.38 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 63.12 111.194 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 650' ' ' ALA . 98.1 t -55.2 -36.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 65.21 111.141 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.5 mt -67.19 -52.64 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 72.12 111.123 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.39 -52.9 63.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 35.02 110.877 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.06 -50.52 68.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 43.5 110.953 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.57 57.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 62.45 112.455 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.47 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 65.41 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.2 m -73.49 -53.81 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 74.34 111.148 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -55.14 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 61.41 110.903 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.46 -51.27 70.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.973 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -56.37 -46.2 80.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.22 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -51.43 69.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 73.44 110.905 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -53.59 -32.61 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.04 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.81 -57.84 2.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 72.45 112.497 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -30.97 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 70.03 110.894 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -59.75 -66.07 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 73.23 110.903 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -54.05 -46.08 71.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.21 110.81 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -62.04 142.2 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.4 110.834 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -101.87 101.7 12.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.823 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -40.83 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.852 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -59.35 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.935 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.811 0.339 . . . . 51.05 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -169.01 94.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 55.41 112.528 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.29 93.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 64.22 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 27.8 p -135.52 -58.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 55.42 111.192 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -57.77 -16.02 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.33 110.91 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.448 ' O ' HD12 ' B' ' 646' ' ' LEU . 15.6 mt -68.62 -33.04 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.89 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.2 m -59.55 -55.69 31.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 74.24 111.224 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 21.8 mtm -62.68 -49.59 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.35 110.847 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 74.42 111.059 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.8 mt -61.35 -43.71 98.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.91 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.5 m -60.26 -44.36 95.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 60.34 111.194 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.66 -50.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 63.34 111.06 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.86 -50.89 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 74.33 111.114 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.57 -43.18 97.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.043 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 43.35 112.475 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 653' ' ' VAL . 85.0 mt -59.59 -51.03 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 44.34 110.909 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 652' ' ' LEU . 55.7 t -53.34 -52.31 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 53.15 111.14 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 97.3 t -55.11 -36.41 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 45.13 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.0 mt -67.37 -52.88 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 62.4 111.096 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.65 -39.7 81.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.841 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.3 mtm -72.47 -54.98 7.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 73.31 110.846 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.5 -52.97 63.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 74.45 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.6 -50.87 67.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.17 -51.32 59.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.794 -0.717 . . . . 54.45 112.452 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.18 -32.97 85.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 70.23 112.529 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -74.14 -54.13 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.77 0.319 . . . . 73.43 111.12 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.16 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.5 mt -56.64 -50.97 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 63.54 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.21 -46.7 79.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 34.31 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -51.44 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -53.49 -32.13 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 70.5 110.897 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.83 -57.91 2.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 74.11 112.44 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -31.01 17.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.335 . . . . 63.52 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -60.52 -50.63 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 63.43 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -63.72 -40.17 96.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.855 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -81.17 70.7 8.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.882 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -61.88 149.36 40.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 70.12 110.845 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -126.29 161.9 26.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.775 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -110.55 -177.57 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 73.1 110.814 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 29.3 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.906 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 13.7 mmt . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.819 0.342 . . . . 63.3 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -132.98 24.81 3.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 71.21 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 62.14 15.23 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 74.24 110.844 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m -104.31 -34.01 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.22 111.115 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -64.4 -13.01 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 646' ' ' LEU . 8.8 mt -70.34 -32.42 70.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.93 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.29 -54.01 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 52.41 111.141 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.74 -49.11 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 74.21 110.833 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.78 84.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 41.53 111.136 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.4 mt -61.03 -43.75 98.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.901 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.1 m -60.3 -44.51 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 64.32 111.111 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.4 t -59.81 -50.99 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.31 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.14 -50.07 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 65.44 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.85 -42.25 97.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 64.4 111.073 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.05 58.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.46 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.524 HD13 HG23 ' B' ' 653' ' ' VAL . 85.5 mt -59.88 -50.42 73.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.815 0.34 . . . . 64.4 110.896 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.515 HG23 HD13 ' B' ' 652' ' ' LEU . 54.6 t -53.53 -52.07 36.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.23 111.147 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 650' ' ' ALA . 94.7 t -55.55 -36.43 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.12 111.12 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.3 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 74.51 111.133 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.94 -40.67 85.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.901 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 42.8 mtm -71.13 -54.96 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 61.1 110.915 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.65 -53.02 62.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 53.02 110.884 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.05 -49.1 72.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 71.22 110.931 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.86 -52.5 52.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 44.21 112.479 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.81 79.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.482 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.2 m -73.44 -51.06 18.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 61.02 111.089 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -54.84 42.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 71.43 110.86 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.96 -46.5 85.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 63.45 110.926 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -60.71 -49.27 78.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -52.0 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.23 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -51.8 -53.71 36.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.54 110.809 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.05 99.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 55.2 112.554 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 mmm-85 -52.0 -57.25 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 62.34 110.858 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -64.43 -35.33 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 61.32 110.833 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -53.18 -39.73 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -89.52 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.88 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 4.7 t60 52.07 43.11 30.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.23 110.848 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -85.93 -26.09 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.51 110.912 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -75.51 -54.71 6.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 65.41 110.825 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 64.05 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 4.0 mmm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.771 0.319 . . . . 74.13 110.965 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -165.03 -92.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 74.52 112.498 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.71 91.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 70.33 110.873 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 90.7 m -132.44 -50.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 73.35 111.192 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -64.28 -12.11 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.816 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.487 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.6 mt -70.61 -32.46 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.91 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.94 -56.25 24.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 74.01 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 24.4 mtm -62.54 -48.75 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.86 84.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.105 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.487 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.4 mt -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 75.23 110.942 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 77.0 m -60.27 -44.61 95.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.69 -50.96 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 65.55 111.181 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.15 -50.24 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 61.12 111.123 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.78 -42.24 97.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 24.14 111.102 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.8 -51.92 52.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.786 -0.721 . . . . 71.12 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' B' ' 655' ' ' ILE . 85.9 mt -59.49 -50.4 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 72.3 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.524 HG23 HD13 ' A' ' 652' ' ' LEU . 53.4 t -53.55 -52.14 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.54 111.088 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.1 t -55.55 -36.15 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.148 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.5 mt -67.35 -52.84 38.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.15 111.114 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.7 -39.74 81.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.928 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 42.6 mtm -72.33 -54.97 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 65.11 110.81 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.55 -53.22 60.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.48 -49.46 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.38 52.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 72.22 112.469 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.38 78.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 51.32 112.481 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.5 m -73.87 -51.22 16.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 71.21 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -55.57 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.897 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.44 -46.19 83.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.945 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.38 -49.6 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.14 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -52.22 65.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.872 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -51.84 -53.62 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.79 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.12 -40.07 98.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 64.42 112.493 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -53.1 -58.18 7.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 72.12 110.847 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -69.07 -32.95 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.837 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -85.62 56.26 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 61.21 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -175.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 63.35 110.891 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -117.61 49.72 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 74.1 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 44.5 m80 57.21 82.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 65.44 110.896 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -87.74 135.56 33.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.34 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.832 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.839 0.352 . . . . 73.55 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 114.14 139.75 7.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 64.23 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.95 -14.43 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 75.42 110.888 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 92.9 m -77.12 -30.93 55.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 73.11 111.095 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -13.46 46.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.843 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 646' ' ' LEU . 8.3 mt -70.45 -32.6 70.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 61.34 110.952 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.1 -54.18 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 75.54 111.097 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -63.61 -49.21 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.23 110.894 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.81 84.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 32.51 111.086 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.1 mt -60.94 -43.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 65.11 110.948 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.37 -44.68 95.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 64.03 111.189 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.424 . . . . 64.42 111.157 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.15 -50.02 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.55 111.128 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.53 111.07 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.98 57.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 74.24 112.41 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.524 HD13 HG23 ' B' ' 653' ' ' VAL . 85.0 mt -59.86 -50.94 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.823 0.344 . . . . 54.53 110.941 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.516 HG23 HD13 ' B' ' 652' ' ' LEU . 53.8 t -53.0 -52.03 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.101 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 650' ' ' ALA . 96.5 t -55.48 -36.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.115 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 652' ' ' LEU . 36.4 mt -67.03 -52.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.51 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.57 -40.93 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.1 mtm -71.13 -55.41 8.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 70.31 110.949 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.4 mtm -56.96 -52.91 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.19 -50.11 70.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.3 110.903 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.28 59.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 53.11 112.519 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.55 -32.72 82.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 60.05 112.483 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.5 m -73.39 -51.6 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 74.54 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -54.92 38.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 65.34 110.92 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.35 -47.71 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -52.15 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 70.52 110.883 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -55.27 -32.46 62.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -85.07 -22.91 51.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 72.43 112.475 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -73.3 -46.94 46.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 64.32 110.898 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.71 -40.49 95.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -60.96 -33.99 74.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.174 -0.466 . . . . 75.5 110.808 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -64.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 53.31 110.825 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.19 121.71 35.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.851 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -76.23 110.97 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 63.05 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 157.98 42.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.834 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 4.2 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.905 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.767 0.317 . . . . 64.45 110.881 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -131.86 -95.61 0.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 74.5 112.416 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 54.75 91.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 73.44 110.83 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 97.6 m -141.27 -50.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 61.14 111.105 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -12.48 36.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.873 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.486 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.3 mt -70.76 -32.54 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 64.5 110.883 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.87 -56.25 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 64.54 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 70.1 mtm -62.49 -48.95 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.859 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.88 -42.02 83.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 22.32 111.109 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.486 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.1 mt -61.09 -43.66 98.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 64.21 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.7 m -60.15 -44.73 94.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.31 111.18 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.5 t -59.76 -50.68 79.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.01 -50.27 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 73.13 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.99 -43.15 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 71.53 111.135 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.87 -51.9 50.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 72.01 112.499 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 653' ' ' VAL . 85.5 mt -59.45 -51.03 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 73.55 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.524 HG23 HD13 ' A' ' 652' ' ' LEU . 52.5 t -53.05 -52.02 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.119 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 650' ' ' ALA . 95.2 t -55.35 -36.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.111 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 36.8 mt -67.23 -52.81 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.1 111.141 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.33 -40.05 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.0 mtm -72.34 -55.42 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 70.14 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -56.74 -53.07 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.77 -50.44 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -51.1 60.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.837 -0.697 . . . . 45.33 112.485 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.2 81.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.664 -0.779 . . . . 61.1 112.532 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -74.09 -51.62 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 72.44 111.198 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -55.83 27.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 70.52 110.818 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.5 -47.42 81.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.879 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -59.31 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.846 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -52.2 66.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.918 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.27 -31.7 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.52 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.07 -57.76 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 54.25 112.435 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -30.91 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 73.2 110.893 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -71.8 -42.48 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.829 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.1 t60 71.14 -68.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 63.11 110.848 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -99.37 135.12 41.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.15 110.912 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.44 175.17 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 54.11 110.842 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -129.6 25.96 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.888 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 42.2 m80 52.53 82.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.03 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 74.2 110.869 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.841 0.353 . . . . 55.4 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 104.47 110.54 3.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 72.04 112.539 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . 0.782 ' HA ' HD12 ' A' ' 642' ' ' LEU . 46.9 mtt180 -116.1 -19.61 10.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 74.34 110.9 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 70.6 p -86.41 -48.71 8.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.082 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -55.34 -18.72 7.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.871 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 639' ' ' ARG . 14.3 mt -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.901 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.9 m -59.75 -53.87 52.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 75.03 111.196 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 10.5 mmt -63.37 -50.13 71.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 54.32 110.845 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.78 82.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.25 111.194 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 642' ' ' LEU . 7.9 mt -60.71 -43.75 97.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.959 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 87.0 m -60.5 -44.63 95.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 73.14 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.62 -50.3 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 74.23 111.18 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.24 -50.75 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 64.51 111.117 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.46 -43.46 96.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 61.22 111.13 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.76 -51.11 55.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 60.14 112.478 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.52 HD13 HG23 ' B' ' 653' ' ' VAL . 84.7 mt -59.95 -51.09 71.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 71.45 110.899 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.508 HG23 HD13 ' B' ' 652' ' ' LEU . 55.9 t -53.05 -52.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 54.33 111.109 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 650' ' ' ALA . 90.9 t -55.49 -36.55 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.12 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.8 mt -67.11 -52.64 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.124 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.61 -40.93 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 54.01 110.902 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.17 -55.34 8.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 52.31 110.854 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.11 -53.0 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.21 110.909 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -55.06 -50.16 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 62.02 110.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.85 -51.53 58.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 74.24 112.509 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.18 -32.81 83.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 53.3 112.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.45 -52.14 14.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 72.51 111.179 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -54.89 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.86 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.04 -48.42 80.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -58.92 -47.59 84.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 71.33 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.62 -52.06 67.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 75.53 110.966 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -56.24 -30.52 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.848 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.21 3.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 73.11 112.599 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -53.17 -27.62 22.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 74.12 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -73.0 -41.77 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.859 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -55.89 -33.04 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.831 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 147.88 52.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.867 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.75 -33.67 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.813 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -45.47 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.71 118.96 19.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.842 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.872 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.882 0.373 . . . . 65.12 110.79 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 74.54 30.23 60.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.795 -0.717 . . . . 64.14 112.492 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.47 -23.5 7.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 72.14 110.838 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 54.7 m -76.3 -36.62 58.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 54.43 111.138 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.93 -19.31 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.834 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.452 ' O ' HD12 ' B' ' 646' ' ' LEU . 13.7 mt -65.48 -33.6 76.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 61.12 110.901 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 3.7 m -59.54 -55.62 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.081 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.28 -49.87 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.882 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.99 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 35.32 111.063 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.452 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.7 mt -60.94 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.91 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 83.6 m -60.41 -44.59 95.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 74.41 111.108 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.61 -50.21 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.165 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -50.94 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 53.53 111.083 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.661 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.49 -43.28 97.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.111 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.61 -51.79 49.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 63.03 112.447 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.508 HD13 HG23 ' A' ' 653' ' ' VAL . 84.6 mt -59.74 -51.18 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 63.11 110.91 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.52 HG23 HD13 ' A' ' 652' ' ' LEU . 56.0 t -52.94 -52.34 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 60.54 111.111 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.9 t -55.33 -36.39 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 60.24 111.131 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.31 -52.8 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 72.04 111.165 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.41 -39.93 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.5 mtm -72.44 -55.22 7.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.875 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.1 mtm -57.08 -53.08 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 72.3 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.54 -50.65 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 52.52 110.949 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.18 60.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.22 112.489 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.41 112.42 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 54.9 m -74.0 -52.3 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 65.21 111.15 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.89 26.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 62.52 110.868 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.32 -47.96 80.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -58.77 -47.85 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -52.04 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 73.42 110.986 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -56.11 -30.22 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.904 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.92 -56.45 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 74.5 112.525 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -51.16 -30.59 17.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 70.15 110.853 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -69.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.885 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 51.44 52.86 13.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 63.52 110.896 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -107.82 -26.54 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 62.42 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 168.64 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 62.54 110.793 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.95 38.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.31 110.858 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -141.57 90.94 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.851 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.12 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 14.1 mtp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.86 0.362 . . . . 72.44 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 132.6 69.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 52.11 112.477 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 -116.65 -20.62 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 73.01 110.844 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m -76.89 -31.87 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.22 111.208 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -63.69 -13.76 45.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.845 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 646' ' ' LEU . 10.5 mt -69.96 -32.39 70.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.975 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.29 -53.98 51.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 64.33 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.8 -49.45 72.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 62.44 110.84 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.27 83.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 72.33 111.092 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.7 mt -61.69 -43.35 99.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 63.14 110.897 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.72 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 62.23 111.13 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.44 111.109 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.9 -49.93 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 51.52 111.17 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -61.02 -42.14 97.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 63.44 111.061 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.24 -51.09 58.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 74.3 112.551 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.527 HD13 HG23 ' B' ' 653' ' ' VAL . 88.4 mt -59.84 -49.98 75.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 50.24 110.851 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.516 HG23 HD13 ' B' ' 652' ' ' LEU . 53.8 t -54.3 -52.16 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 75.13 111.09 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 650' ' ' ALA . 96.8 t -55.25 -36.37 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.11 111.09 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.5 mt -67.0 -52.8 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 52.43 111.176 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.74 -40.72 84.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.05 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -71.15 -55.33 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.12 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.4 mtm -57.21 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 62.12 110.885 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.5 mt -54.95 -48.93 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 54.04 110.904 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.8 -52.96 49.18 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 63.3 112.453 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.74 79.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 62.13 112.523 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.3 m -73.36 -51.24 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 74.12 111.133 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -54.9 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 70.23 110.907 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.76 -46.64 84.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 70.3 110.941 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.76 -49.17 78.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 72.4 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -52.05 66.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.907 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.49 -53.78 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 71.23 110.827 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.94 -42.42 99.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 61.43 112.457 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 4.9 mmm-85 -55.28 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 63.01 110.893 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -119.87 69.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 72.43 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -63.12 -52.66 61.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -98.35 -178.18 3.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.57 159.39 36.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 55.98 35.31 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 63.13 110.887 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 33.7 m80 56.59 45.88 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 36.4 m170 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 73.33 110.882 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.777 0.322 . . . . 71.25 110.811 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -154.6 90.48 0.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 43.01 112.44 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.6 92.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 75.13 110.859 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m -126.76 -50.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.183 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -63.57 -12.79 35.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.854 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.46 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.2 mt -70.46 -32.41 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 70.2 110.921 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -59.99 -56.2 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 75.01 111.088 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 43.1 mmm -62.45 -49.19 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 60.23 110.899 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.4 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 64.22 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.8 mt -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 72.3 110.947 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 89.0 m -60.44 -44.27 95.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 54.54 111.13 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.27 -50.74 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 61.45 111.147 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.87 -50.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.51 111.101 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.96 -42.09 97.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 62.41 111.074 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.12 -51.7 54.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 53.41 112.494 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 653' ' ' VAL . 88.0 mt -59.49 -50.1 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 71.01 110.937 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.527 HG23 HD13 ' A' ' 652' ' ' LEU . 53.7 t -54.23 -52.24 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 64.52 111.118 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 92.6 t -55.14 -36.17 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 40.41 111.176 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.2 mt -67.24 -53.08 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 71.33 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.46 -39.84 81.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 55.42 110.916 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.1 mtm -72.23 -55.37 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.883 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -57.2 -53.16 61.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 44.02 110.877 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.45 -49.42 70.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.83 -52.62 51.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 64.31 112.49 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.34 -31.33 78.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 75.33 112.488 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 45.1 m -73.81 -51.37 16.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 71.51 111.092 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -55.58 32.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 75.13 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.29 -46.32 83.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.951 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -60.42 -49.65 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.924 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.86 67.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 73.54 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -52.08 -53.68 39.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 72.01 110.822 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.24 -32.49 80.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 53.12 112.451 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -61.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 73.41 110.872 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.96 35.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.864 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -53.52 -29.09 34.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 60.13 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -44.44 44.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.792 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -87.35 177.08 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 74.1 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -137.17 178.9 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 71.35 110.798 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -120.73 -68.38 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.832 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 75.13 110.829 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.831 0.348 . . . . 45.31 110.815 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 89.13 78.42 1.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 74.32 112.516 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -117.5 -20.26 9.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 75.25 110.842 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 90.0 m -77.09 -31.36 55.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.221 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -63.93 -13.53 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.854 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 646' ' ' LEU . 10.2 mt -70.39 -32.2 69.76 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.901 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.3 -54.12 49.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.102 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.84 -49.34 73.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 70.15 110.862 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.28 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.084 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.3 mt -61.56 -43.44 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 75.01 110.861 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 87.4 m -60.84 -44.01 97.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 74.03 111.148 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.5 t -60.55 -50.81 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.33 111.108 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.9 -49.44 83.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 55.32 111.111 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -61.34 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 42.01 111.102 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.34 -51.0 57.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.709 -0.758 . . . . 30.53 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.528 HD13 HG23 ' B' ' 653' ' ' VAL . 89.5 mt -59.75 -50.62 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 61.43 110.921 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.515 HG23 HD13 ' B' ' 652' ' ' LEU . 52.2 t -53.74 -52.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.41 111.057 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 650' ' ' ALA . 98.4 t -55.21 -36.64 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.142 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.0 mt -67.07 -52.8 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 64.23 111.147 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -40.78 84.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 65.41 110.897 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.9 mtm -71.23 -55.31 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.23 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 52.55 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.11 -50.64 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 75.22 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.82 -50.74 64.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.462 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.44 -33.16 83.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.704 -0.76 . . . . 65.33 112.509 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.6 m -73.47 -53.56 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 74.04 111.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -54.99 29.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 52.4 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.37 -51.27 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.899 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -56.06 -45.0 79.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.933 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -52.14 64.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 73.04 110.95 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -52.6 -32.05 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.889 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -83.8 -57.49 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 63.15 112.516 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -28.8 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 73.44 110.901 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.0 mmm-85 -58.09 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 70.35 110.876 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -69.21 -27.77 65.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.796 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -72.93 155.78 39.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -112.19 154.26 25.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.807 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.48 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.869 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -121.16 166.85 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 65.23 110.821 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 71.35 110.856 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.848 0.356 . . . . 74.15 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 127.05 81.51 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 62.31 112.488 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.04 92.56 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 74.25 110.952 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 94.7 m -128.04 -51.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 54.11 111.163 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -63.86 -12.31 35.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.803 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.0 mt -70.81 -32.25 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 73.33 110.927 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.02 -56.1 25.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.54 111.232 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.71 -48.83 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.927 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.066 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.3 mt -61.65 -43.25 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.962 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 81.0 m -60.75 -44.16 97.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 72.33 111.132 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.41 -50.93 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 71.13 111.135 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.84 -49.51 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 63.03 111.116 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.666 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -61.29 -43.23 99.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 53.31 111.122 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.23 -51.55 53.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 52.45 112.446 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.515 HD13 HG23 ' A' ' 653' ' ' VAL . 89.2 mt -59.47 -50.68 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 63.41 110.925 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.528 HG23 HD13 ' A' ' 652' ' ' LEU . 53.0 t -53.75 -51.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.43 111.151 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 650' ' ' ALA . 96.6 t -55.15 -36.5 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.13 111.084 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.4 mt -67.44 -52.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 62.3 111.1 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.45 -39.79 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.8 mtm -72.43 -55.21 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 71.55 110.924 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.07 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 44.25 110.818 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.68 -51.11 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -50.43 67.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 61.2 112.505 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.25 -32.67 82.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.477 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.29 -53.65 9.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 74.32 111.205 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.25 -56.13 18.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 64.54 110.871 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -50.83 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.908 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -55.68 -45.49 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 61.51 110.956 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -52.05 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.899 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -52.29 -31.69 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.818 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -84.54 -56.93 2.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 74.31 112.455 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.64 -28.54 21.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.339 . . . . 75.55 110.918 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.94 -49.05 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.844 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 35.8 t60 71.24 -68.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 65.01 110.867 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 9.3 t60 56.8 91.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.865 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.1 149.63 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 70.42 110.876 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -116.65 -33.46 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.902 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -36.15 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.04 110.882 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.877 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 14.2 mtt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.816 0.341 . . . . 75.25 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 134.53 143.58 4.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.442 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 13.7 34.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.966 0.412 . . . . 64.53 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 93.2 m -113.73 -36.32 4.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 75.13 111.104 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -64.3 -12.65 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.12 110.88 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.7 mt -70.18 -32.28 70.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.911 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.34 -54.12 49.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.5 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.91 -48.95 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 61.33 110.945 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.58 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.123 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.9 mt -61.25 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.909 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 79.5 m -60.71 -44.6 96.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.142 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.65 -50.55 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 42.51 111.178 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.59 -50.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 60.3 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.77 -43.29 98.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 32.3 111.109 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.03 -51.12 56.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 73.32 112.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.524 HD13 HG23 ' B' ' 653' ' ' VAL . 84.1 mt -59.85 -51.03 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 64.24 110.99 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.512 HG23 HD13 ' B' ' 652' ' ' LEU . 54.1 t -53.05 -52.15 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 65.34 111.104 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 650' ' ' ALA . 99.5 t -55.44 -36.6 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.172 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 652' ' ' LEU . 34.9 mt -67.07 -52.7 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.51 111.136 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.8 -40.68 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 45.4 mtm -71.22 -55.24 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 64.1 110.83 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.23 -53.12 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 54.42 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.0 -49.61 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 63.22 110.897 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.01 -51.99 55.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 65.12 112.473 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.14 -32.59 82.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 53.35 112.513 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 55.2 m -73.34 -52.68 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 63.24 111.158 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.0 -55.14 34.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 74.32 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.5 mt -57.6 -48.03 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 75.22 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -60.44 -43.49 96.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 54.32 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -52.52 64.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.22 110.912 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -53.08 -39.18 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 53.41 110.898 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.66 -35.09 37.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 72.45 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.92 -40.59 89.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 74.05 110.85 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.55 20.51 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.877 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -64.55 -42.69 95.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.861 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -97.28 -40.83 8.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -63.66 167.84 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 70.33 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -116.27 111.62 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -89.98 114.67 26.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 65.12 110.905 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 4.7 m80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.859 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.742 0.306 . . . . 71.15 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -170.81 -95.92 0.1 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 51.04 112.543 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 54.72 91.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.409 . . . . 74.32 110.855 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.6 m -138.6 -50.17 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 65.5 111.156 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -64.26 -12.05 37.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 73.21 110.895 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.5 mt -70.75 -32.29 69.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.13 -56.27 23.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.054 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.63 -48.71 78.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.14 110.836 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.25 -41.68 84.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 44.51 111.086 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.0 mt -61.25 -43.44 98.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 72.33 110.922 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 75.0 m -60.5 -44.67 95.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 71.21 111.107 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.53 -50.49 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.57 -50.36 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.112 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.658 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.83 -43.11 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.34 111.087 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.84 -51.89 50.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 64.32 112.46 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 653' ' ' VAL . 85.4 mt -59.7 -51.12 71.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.842 0.354 . . . . 74.15 110.838 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.524 HG23 HD13 ' A' ' 652' ' ' LEU . 53.8 t -52.97 -52.16 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 71.22 111.127 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 650' ' ' ALA . 99.4 t -55.51 -36.37 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 65.4 111.09 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.31 -52.87 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 74.25 111.138 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.52 -39.82 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.44 -55.06 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.28 -53.2 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -54.53 -49.84 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 72.33 110.967 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.83 56.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 72.22 112.471 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.11 81.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 62.53 112.446 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.85 -52.73 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 73.32 111.098 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.9 -56.04 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.888 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.99 -47.63 80.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.954 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -60.04 -44.05 94.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.93 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.47 56.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -51.89 -38.27 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.54 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -71.13 -58.0 5.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 72.43 112.52 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -31.1 62.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 72.25 110.898 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -95.19 26.76 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -51.63 -30.46 21.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.15 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -103.95 79.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 54.52 110.881 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -108.42 -45.17 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 54.45 110.84 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -142.22 -74.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.88 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.76 136.68 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.817 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 60.5 110.852 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 19.2 ttt . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.812 0.339 . . . . 74.03 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 151.78 -44.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 61.23 112.548 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? 62.07 15.38 7.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.948 0.404 . . . . 73.35 110.873 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 94.8 m -92.58 -34.22 14.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 73.24 111.054 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.14 -13.11 45.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 65.51 110.839 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.9 mt -70.56 -32.33 69.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.21 110.847 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.32 -54.09 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 34.42 111.121 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 78.6 mtm -63.85 -48.96 74.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 53.04 110.9 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 21.13 111.072 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.3 mt -61.7 -43.73 98.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.877 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.1 m -60.37 -43.62 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 60.55 111.192 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.4 -52.05 65.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.215 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.19 -46.23 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 75.43 111.085 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -63.5 -39.74 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 72.22 111.105 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.68 -51.06 61.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.665 -0.778 . . . . 64.13 112.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' A' ' 655' ' ' ILE . 29.4 mt -59.39 -45.21 92.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.863 0.363 . . . . 74.14 110.945 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.576 ' CG2' HD13 ' B' ' 652' ' ' LEU . 62.1 t -59.2 -53.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 62.41 111.139 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 650' ' ' ALA . 96.8 t -55.08 -32.72 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 652' ' ' LEU . 24.3 mt -66.84 -52.62 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.063 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.8 -41.07 85.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.87 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 37.2 mtm -70.99 -55.47 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 72.23 110.865 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.9 mtm -56.83 -53.78 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 64.23 110.829 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.1 mt -55.08 -48.58 73.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.16 -53.23 46.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 51.42 112.471 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.0 -31.96 81.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 53.34 112.457 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.44 -53.72 10.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 73.14 111.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -55.08 35.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 51.53 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.67 -49.5 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 72.43 110.963 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -58.72 -48.5 80.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.865 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.14 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.945 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -52.94 -53.87 43.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 71.45 110.823 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -64.84 -27.29 71.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.72 . . . . 54.14 112.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -65.48 -61.94 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 64.32 110.907 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -54.12 -35.04 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.835 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -56.7 -27.2 58.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 65.12 110.901 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.33 130.61 56.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 53.22 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.03 -68.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 75.35 110.865 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.24 129.33 41.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.839 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -98.91 155.72 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 119.202 -0.428 . . . . 73.22 110.848 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.749 0.309 . . . . 73.44 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -112.83 -92.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 40.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 54.79 91.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 64.5 110.803 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 80.0 m -131.27 -50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 61.5 111.059 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -64.14 -12.11 36.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 51.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.473 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.7 mt -70.78 -32.41 69.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 62.32 110.888 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.03 -56.14 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 63.41 111.161 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 78.5 mtm -62.6 -48.72 78.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.889 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.3 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.145 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.473 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.2 mt -61.91 -43.63 98.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 64.22 110.933 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 91.8 m -60.36 -43.63 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 71.23 111.1 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.4 -52.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.13 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.3 -46.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 23.35 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.664 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -63.62 -39.68 94.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 62.32 111.153 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.47 -52.06 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 75.22 112.466 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' B' ' 655' ' ' ILE . 28.4 mt -58.95 -45.12 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 73.11 110.927 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.569 ' CG2' HD13 ' A' ' 652' ' ' LEU . 63.7 t -59.19 -53.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 54.01 111.134 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 650' ' ' ALA . 94.5 t -54.92 -32.57 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.21 111.092 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' B' ' 652' ' ' LEU . 23.8 mt -66.84 -52.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.127 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -58.5 -40.59 83.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.931 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 36.9 mtm -71.76 -55.47 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 63.33 110.841 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.7 mtm -56.76 -54.05 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 70.5 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.929 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.03 48.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 62.33 112.501 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.04 -31.7 80.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 64.02 112.46 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 49.5 m -73.55 -54.05 9.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 74.2 111.204 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -55.97 24.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.926 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.01 -49.29 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 74.41 110.914 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -58.33 -48.69 79.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 72.53 110.925 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -52.54 64.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -53.35 -53.97 43.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.892 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.13 83.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 23.22 112.465 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -61.41 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 70.13 110.825 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -118.67 69.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 75.11 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -83.17 55.54 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.847 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.67 32.3 0.87 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 74.41 110.882 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.85 -71.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.05 110.906 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 56.97 26.04 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.845 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -153.62 164.6 37.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.894 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.839 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.834 0.35 . . . . 74.4 110.963 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 151.11 88.12 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.69 -0.767 . . . . 53.23 112.444 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.17 14.98 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 73.1 110.95 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 89.0 m -107.91 -34.7 6.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.15 -0.477 . . . . 60.24 111.142 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -12.94 46.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 64.03 110.844 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.2 mt -70.25 -32.35 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.96 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.3 m -60.18 -54.08 50.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 71.21 111.222 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -63.87 -49.09 74.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 61.31 110.919 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.46 84.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 63.15 111.092 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.7 mt -61.3 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 72.15 110.92 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 79.7 m -60.74 -44.75 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.106 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.67 -50.6 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.177 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.14 -50.47 79.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 63.41 111.072 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.56 -43.39 97.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 53.42 111.135 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.0 -50.97 56.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.7 -0.762 . . . . 72.0 112.557 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.52 HD13 HG23 ' B' ' 653' ' ' VAL . 85.7 mt -59.94 -51.1 71.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 72.12 110.922 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.51 HG23 HD13 ' B' ' 652' ' ' LEU . 56.1 t -53.09 -52.23 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.203 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 650' ' ' ALA . 99.1 t -55.17 -36.79 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 70.11 111.087 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.3 mt -66.97 -52.75 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.119 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.53 -40.92 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 52.44 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.14 -55.37 8.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.874 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.01 -53.13 61.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.768 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.01 -50.16 69.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 72.43 110.92 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.8 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.716 . . . . 62.44 112.486 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.07 -32.66 83.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 61.3 112.514 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.42 -51.55 16.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 72.34 111.127 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -55.0 39.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 62.43 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.55 -47.03 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 70.12 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -60.61 -48.77 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -52.16 66.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.885 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.2 -53.74 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 75.2 110.858 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.03 98.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.68 -0.771 . . . . 75.04 112.495 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -54.35 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 72.45 110.811 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -66.7 -28.49 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.87 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -69.91 -26.66 64.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 65.11 110.838 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.59 -53.19 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 74.32 110.866 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -94.19 124.86 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.946 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 129.9 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 74.04 110.879 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -90.97 175.91 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.873 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.868 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.862 0.363 . . . . 72.42 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 128.65 146.66 6.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 33.42 112.535 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 53.03 89.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 70.41 110.912 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 88.5 m -128.6 -49.72 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.24 111.133 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -11.94 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.854 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.475 ' O ' HD12 ' B' ' 646' ' ' LEU . 9.0 mt -70.59 -32.28 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 43.11 111.178 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 12.2 mtt -62.69 -48.87 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.829 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.47 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 52.42 111.099 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.475 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.7 mt -61.39 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 63.51 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 70.4 m -60.63 -44.79 95.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.44 111.129 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.65 -50.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 73.12 111.138 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.88 -50.49 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 62.22 111.148 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.662 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.74 -43.2 98.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 74.45 111.035 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.9 -51.75 51.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 64.43 112.461 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.51 HD13 HG23 ' A' ' 653' ' ' VAL . 85.9 mt -59.63 -51.09 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 51.55 110.942 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.52 HG23 HD13 ' A' ' 652' ' ' LEU . 54.9 t -53.15 -52.14 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.04 111.081 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 650' ' ' ALA . 99.8 t -55.2 -36.65 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 70.53 111.165 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.15 -52.89 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 63.25 111.072 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.34 -40.01 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.02 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -72.35 -55.36 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.51 110.851 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -56.9 -53.08 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.7 -50.48 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 55.54 110.941 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.9 -51.54 57.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.04 112.453 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.41 82.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 73.11 112.524 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.0 m -73.83 -51.62 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 63.44 111.136 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -55.79 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 71.4 110.866 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.12 -46.69 82.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -60.17 -49.08 79.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 70.23 110.923 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -52.58 64.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 63.4 110.921 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -52.61 -54.01 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.871 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.98 99.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 72.24 112.526 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -62.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 62.42 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -118.95 69.24 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.55 110.927 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.3 60.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 70.14 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -159.11 82.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 65.01 110.799 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -148.33 156.39 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 65.31 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -163.37 64.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 72.21 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -71.49 160.36 32.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 63.22 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.908 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.818 0.342 . . . . 64.12 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -119.23 83.88 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.673 -0.775 . . . . 44.11 112.49 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.29 92.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 74.03 110.863 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 95.7 m -129.25 -49.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 70.33 111.206 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.01 -12.03 34.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 73.34 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 646' ' ' LEU . 5.7 mt -70.77 -32.91 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.943 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -54.09 50.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 53.2 111.136 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 15.3 mmt -63.82 -49.64 72.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.1 110.822 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.83 80.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 50.35 111.1 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 642' ' ' LEU . 6.3 mt -62.58 -43.56 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.954 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.9 m -60.42 -42.57 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 75.13 111.168 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.2 t -63.25 -52.58 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 74.04 111.058 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 653' ' ' VAL . 60.3 mt -61.1 -44.53 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.131 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -65.24 -40.64 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 62.31 111.039 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.06 -51.08 61.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 15.22 112.477 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.686 ' HA ' HD12 ' A' ' 655' ' ' ILE . 37.7 mt -59.6 -45.78 90.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 70.53 110.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.557 ' CG2' HD13 ' B' ' 652' ' ' LEU . 58.6 t -58.95 -53.06 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 61.52 111.116 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 650' ' ' ALA . 86.8 t -55.02 -33.13 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.12 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 652' ' ' LEU . 24.1 mt -66.66 -52.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.23 111.085 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.99 -40.72 85.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.888 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 54.9 mtm -71.16 -55.41 8.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 72.4 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 23.8 mtm -57.03 -53.42 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.859 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.4 mt -55.0 -50.36 69.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 61.1 110.881 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.89 -51.4 58.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 62.12 112.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.79 -33.3 85.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 51.2 112.507 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.5 m -73.46 -53.88 9.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 74.31 111.184 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -55.06 31.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -57.36 -51.27 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 53.41 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.67 -45.79 81.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.91 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -51.89 67.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -53.6 -33.2 54.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.857 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -81.07 -57.56 2.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 64.35 112.528 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -28.23 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 44.12 110.874 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -85.21 -32.12 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -63.81 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.815 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -65.25 106.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.875 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.2 104.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 62.1 110.842 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -71.72 -52.61 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 65.33 110.93 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 54.42 44.25 29.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.873 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 63.32 110.868 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.823 0.344 . . . . 74.12 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -112.84 -101.84 2.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 52.41 112.459 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 54.29 91.57 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 74.04 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 95.9 m -140.44 -49.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.3 111.192 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.27 -11.9 36.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.854 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.468 ' O ' HD12 ' B' ' 646' ' ' LEU . 5.6 mt -70.93 -32.86 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 55.53 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -59.49 -55.99 27.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.149 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.77 -49.3 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.888 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.9 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 22.33 111.071 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 642' ' ' LEU . 6.2 mt -62.72 -43.4 98.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.959 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 85.4 m -60.38 -42.51 96.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 62.21 111.135 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.17 -52.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 63.41 111.075 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . 0.425 ' O ' HG23 ' B' ' 653' ' ' VAL . 60.9 mt -60.94 -44.47 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 74.04 111.13 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.649 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -65.43 -40.62 93.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -58.88 -52.13 55.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 51.34 112.514 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 655' ' ' ILE . 36.5 mt -58.95 -45.7 89.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.328 . . . . 55.21 110.858 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.55 ' CG2' HD13 ' A' ' 652' ' ' LEU . 56.5 t -58.93 -53.19 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 63.31 111.052 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.649 HG23 ' O ' ' B' ' 650' ' ' ALA . 87.0 t -54.88 -32.91 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.145 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.0 mt -66.9 -52.99 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.097 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.65 -40.04 82.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.866 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 55.0 mtm -72.14 -55.41 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 23.6 mtm -56.98 -53.51 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 44.45 110.888 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.8 mt -54.49 -50.55 67.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 52.2 110.922 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.44 58.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 43.22 112.476 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.86 -32.65 83.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 54.34 112.457 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.6 m -73.94 -54.52 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.32 111.164 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -56.04 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 51.43 110.897 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 17.9 mt -56.55 -50.8 70.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 72.44 110.875 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.57 -46.51 80.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 60.55 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 73.35 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -53.71 -32.79 53.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 53.41 110.911 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -77.55 -55.9 4.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.666 -0.778 . . . . 75.14 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -31.02 63.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.766 0.317 . . . . 64.51 110.856 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -94.07 20.17 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 64.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -52.25 -29.77 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 75.01 110.921 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -51.91 112.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.895 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -78.86 86.81 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -150.22 83.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.922 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -103.33 139.19 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 61.32 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 23.1 ttp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.878 0.37 . . . . 72.44 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -138.15 -142.19 4.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.736 . . . . 52.15 112.512 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -118.51 -25.42 6.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.899 0.38 . . . . 70.32 110.873 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 60.4 m -75.51 -32.42 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 54.24 111.147 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -61.89 -15.31 41.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 73.04 110.915 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 646' ' ' LEU . 14.1 mt -70.6 -32.22 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 61.3 110.916 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.6 m -60.34 -54.01 50.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 52.23 111.089 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 34.7 mtp -63.79 -49.51 72.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.897 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.54 83.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.12 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 642' ' ' LEU . 7.7 mt -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.94 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 91.0 m -60.56 -44.3 96.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.128 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.59 -50.63 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.04 111.159 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 70.0 mt -56.94 -50.27 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 75.23 111.102 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.69 -43.37 97.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 64.53 110.997 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.07 55.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 75.12 112.512 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.521 HD13 HG23 ' B' ' 653' ' ' VAL . 84.0 mt -59.94 -51.08 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 73.24 110.939 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.511 HG23 HD13 ' B' ' 652' ' ' LEU . 55.5 t -52.87 -51.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.173 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 650' ' ' ALA . 99.0 t -55.88 -36.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 73.02 111.103 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.4 mt -67.03 -52.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 70.22 111.141 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.04 -40.61 85.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 61.33 110.888 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 44.9 mtm -71.17 -54.88 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.861 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.5 mtm -57.7 -53.08 62.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 62.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.1 mt -55.08 -48.95 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.0 -52.54 51.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 62.42 112.46 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.54 -31.86 79.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 62.44 112.533 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 48.1 m -73.32 -52.39 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 73.23 111.124 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -55.0 36.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.843 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.87 -49.09 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 74.24 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -58.27 -47.88 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.881 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -52.0 67.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.52 -30.89 61.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.837 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.9 -56.17 3.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 74.13 112.446 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -53.65 -27.67 28.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 61.11 110.911 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -63.03 -33.62 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 62.54 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.67 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 64.03 110.832 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 55.96 62.19 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 53.15 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -122.12 -34.92 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.22 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -142.77 172.14 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 55.12 110.822 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -146.31 157.44 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.88 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.918 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.844 0.354 . . . . 75.41 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -157.46 84.32 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 52.2 112.476 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -139.27 88.9 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 73.33 110.847 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 87.9 m -132.0 -51.12 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.12 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.96 -14.32 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.836 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 646' ' ' LEU . 14.3 mt -70.84 -32.37 69.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 65.04 110.927 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.5 m -60.01 -55.97 27.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.142 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.65 -49.09 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.944 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.66 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.071 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.447 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.6 mt -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.917 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 82.6 m -60.35 -44.37 95.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.19 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.56 -50.67 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 53.13 111.124 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.89 -50.56 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.064 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.59 -43.23 97.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.093 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.68 -51.9 49.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 71.33 112.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.511 HD13 HG23 ' A' ' 653' ' ' VAL . 84.0 mt -59.63 -51.26 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 73.45 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 652' ' ' LEU . 54.4 t -52.96 -51.99 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.24 111.136 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 650' ' ' ALA . 98.3 t -55.61 -36.28 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 55.21 111.105 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.1 mt -67.31 -52.79 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.01 111.153 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.71 -39.76 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 52.33 110.929 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 45.0 mtm -72.39 -54.71 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 65.22 110.87 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.3 mtm -57.69 -53.24 60.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 64.22 110.851 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.9 mt -54.52 -49.35 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.909 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.34 52.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 55.42 112.456 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.39 -31.3 78.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 55.42 112.518 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 48.7 m -74.06 -52.45 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 62.12 111.205 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.34 -55.77 27.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.867 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.21 -48.63 78.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 74.04 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -58.27 -48.06 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.939 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.9 -52.17 66.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 75.12 110.916 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.37 -30.68 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.32 110.925 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -80.82 -57.63 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 65.33 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.92 -31.16 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 73.42 110.864 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -90.98 -57.31 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.906 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 51.24 49.52 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -126.04 62.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -122.58 -58.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 65.31 110.889 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 62.15 170.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 52.4 110.836 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -156.47 99.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.55 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.858 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 75.14 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 169.41 -79.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 52.52 112.47 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -109.23 14.72 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 64.3 110.825 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 75.5 m -115.07 -36.66 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 71.11 111.101 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -63.9 -12.95 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.45 110.844 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.1 mt -70.49 -32.52 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.1 -54.19 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.4 111.15 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 67.9 mtm -63.72 -49.02 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.0 110.953 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.62 84.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 62.14 111.145 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.2 mt -61.16 -43.45 98.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 71.52 110.945 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 82.5 m -60.62 -44.7 96.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.24 111.132 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 88.7 t -59.51 -50.39 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 75.31 111.122 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 66.3 mt -58.7 -50.87 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 51.41 111.122 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.47 -44.33 96.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 55.45 111.141 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.11 51.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 74.32 112.485 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.521 HD13 HG23 ' B' ' 653' ' ' VAL . 85.1 mt -59.92 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 71.43 110.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.514 HG23 HD13 ' B' ' 652' ' ' LEU . 55.6 t -52.81 -52.17 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.15 111.122 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 650' ' ' ALA . 61.3 t -55.53 -36.4 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.106 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.5 mt -67.14 -52.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 54.32 111.189 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.72 -40.82 84.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.935 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 49.1 mtm -71.19 -55.14 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.0 mtm -57.27 -53.23 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.821 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.0 -49.27 71.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 61.53 110.922 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.04 54.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 63.13 112.409 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.07 79.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.761 -0.733 . . . . 71.31 112.449 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 52.4 m -73.31 -50.77 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 70.32 111.129 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.883 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.92 -45.73 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -62.22 -46.04 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -52.25 66.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 72.44 110.96 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -53.12 -53.36 51.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 40.33 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.31 -24.28 63.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 62.4 112.411 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -39.35 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 71.33 110.88 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -27.54 64.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.52 110.822 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -76.3 -44.99 34.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.827 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 128.44 36.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 115.39 5.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 44.13 110.867 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.44 149.96 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.834 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -72.14 132.77 44.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.828 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 72.2 110.87 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.859 0.362 . . . . 40.43 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -101.88 -98.95 2.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 63.23 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 54.82 91.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.402 . . . . 73.25 110.888 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 91.8 m -130.19 -50.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 74.43 111.149 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.98 -12.23 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.03 110.825 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.489 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.9 mt -70.8 -32.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 64.35 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.97 -56.17 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 61.4 111.145 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 67.8 mtm -62.61 -48.7 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 63.12 110.865 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.2 -41.74 84.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.489 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.2 mt -61.25 -43.42 98.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.9 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.3 m -60.44 -44.75 95.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.31 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.1 t -59.43 -50.45 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.084 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -50.94 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.114 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.675 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.6 -44.14 96.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 54.5 111.116 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -53.73 -51.73 46.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.663 -0.78 . . . . 63.34 112.539 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 653' ' ' VAL . 84.2 mt -59.65 -51.48 69.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 75.23 110.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 652' ' ' LEU . 54.4 t -52.7 -52.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.043 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 650' ' ' ALA . 63.0 t -55.55 -36.19 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.33 111.068 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.7 mt -67.26 -52.91 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.096 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.44 -39.94 81.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.934 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.8 mtm -72.45 -55.1 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 73.24 110.838 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.7 mtm -57.23 -53.16 61.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.872 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.2 mt -54.65 -49.76 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.893 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.68 -51.61 57.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 71.14 112.489 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.83 -31.73 79.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 74.51 112.512 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 52.9 m -73.8 -50.72 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 61.15 111.112 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -55.83 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.863 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.66 -45.46 85.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 71.34 110.848 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.92 -46.16 90.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.972 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -53.21 60.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 65.14 110.895 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -53.11 -53.35 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 70.33 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -63.36 -20.92 63.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 73.25 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -88.29 -17.48 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 73.5 110.894 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.36 -76.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 51.42 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -141.0 17.43 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 73.52 110.812 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.93 32.41 6.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.901 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -68.05 -26.05 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 71.23 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -54.25 146.04 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.879 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -132.51 51.16 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.852 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.785 0.326 . . . . 71.34 110.956 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 139.47 -66.72 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.74 -0.743 . . . . 60.1 112.448 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -11.53 9.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 74.42 110.854 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 92.0 m -77.07 -31.51 56.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 61.52 111.14 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -13.57 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 646' ' ' LEU . 9.0 mt -70.56 -32.62 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 51.3 110.885 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.04 -54.11 49.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 72.01 111.113 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -63.76 -49.15 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 63.34 111.037 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.6 mt -61.27 -43.58 98.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.909 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 85.1 m -60.48 -44.31 96.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.94 -50.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 70.21 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.04 -49.88 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.02 111.109 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -62.3 -41.07 98.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 70.41 111.091 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.02 -51.07 57.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 64.32 112.472 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.525 HD13 HG23 ' B' ' 653' ' ' VAL . 66.1 mt -61.62 -50.14 73.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 61.23 110.932 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.528 HG23 HD13 ' B' ' 652' ' ' LEU . 44.1 t -52.68 -49.89 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.198 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 650' ' ' ALA . 90.3 t -58.49 -37.52 64.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 52.43 111.096 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 652' ' ' LEU . 39.9 mt -66.46 -46.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.51 111.147 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.91 -42.56 99.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.957 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 48.4 mtm -71.24 -45.98 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 71.0 110.798 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.07 -55.25 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 63.31 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.87 -46.05 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 54.04 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.15 -53.57 43.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 63.2 112.484 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.52 -31.55 76.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 43.02 112.471 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.4 m -73.28 -53.86 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 74.33 111.137 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -55.03 31.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.42 . . . . 72.45 110.845 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.89 -50.39 73.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 64.12 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -57.05 -46.05 82.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -52.09 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 62.43 110.939 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -56.8 -31.2 64.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 72.14 110.942 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.62 -57.35 3.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 42.23 112.483 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -31.0 20.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 64.21 110.886 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -85.91 -34.86 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 64.44 110.92 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.36 -54.42 47.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.89 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -68.62 157.25 36.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 75.25 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 59.61 44.44 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.886 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -76.97 150.76 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.13 110.845 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -123.22 146.77 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.1 110.882 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.885 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.854 0.359 . . . . 71.25 110.839 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 82.07 65.95 1.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 51.33 112.439 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -139.46 89.12 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 72.13 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 93.8 m -134.88 -49.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.193 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.9 -12.48 37.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.82 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.482 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.9 mt -70.86 -32.57 69.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.84 -56.24 24.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 65.0 mtm -62.51 -48.99 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 65.11 110.933 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -57.99 -41.71 83.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 65.1 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.482 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.7 mt -61.38 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 74.14 110.962 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.9 m -60.51 -44.25 96.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 74.14 111.141 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.11 -50.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 64.13 111.088 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.82 -50.07 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 73.52 111.164 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.656 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -62.38 -41.0 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.52 111.044 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.89 -51.6 54.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.798 -0.715 . . . . 54.23 112.464 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.528 HD13 HG23 ' A' ' 653' ' ' VAL . 65.1 mt -61.29 -50.49 72.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 74.14 110.867 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.525 HG23 HD13 ' A' ' 652' ' ' LEU . 43.0 t -52.45 -49.84 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.108 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 650' ' ' ALA . 88.7 t -58.55 -37.32 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.22 111.126 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' B' ' 652' ' ' LEU . 40.0 mt -66.73 -46.61 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 72.42 111.088 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -62.7 -41.83 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 64.52 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 48.3 mtm -72.22 -45.78 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 55.22 110.943 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . 0.41 ' HE2' HG12 ' B' ' 654' ' ' VAL . 24.6 mtm -65.17 -55.59 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 54.02 110.887 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -53.96 -46.47 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.946 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.34 -53.73 41.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 53.21 112.483 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -67.16 -30.59 75.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 71.3 112.515 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -74.19 -54.61 7.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 53.15 111.132 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.87 -55.49 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.901 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.23 -50.09 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 73.01 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -56.83 -46.3 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.935 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -52.42 64.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -56.53 -31.74 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 62.53 110.809 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -84.23 -28.75 32.71 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 55.52 112.48 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -65.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 61.21 110.906 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -119.91 69.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.9 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -56.17 -31.89 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.89 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -67.08 108.6 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -161.81 113.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.882 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -117.8 100.81 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 70.51 110.831 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 54.24 110.879 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.2 110.839 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 2.1 tpp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.77 0.319 . . . . 74.25 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 112.36 144.48 9.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 31.34 112.531 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 -19.48 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 72.33 110.882 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 7.0 t -77.0 -30.48 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 51.25 111.122 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -64.29 -13.61 50.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 65.1 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.481 ' O ' HD12 ' A' ' 646' ' ' LEU . 8.9 mt -70.3 -32.51 70.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.909 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -60.17 -54.04 50.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 52.45 111.207 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.76 -49.05 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 64.3 110.853 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.66 85.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.55 111.081 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.3 mt -61.11 -43.77 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.883 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 80.0 m -60.31 -44.72 95.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 72.51 111.106 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.49 -50.42 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 63.1 111.131 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.05 -50.67 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.14 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.49 -43.07 97.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 74.04 111.119 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.08 56.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 61.4 112.509 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.519 HD13 HG23 ' B' ' 653' ' ' VAL . 83.3 mt -60.01 -50.91 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 64.31 110.921 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.507 HG23 HD13 ' B' ' 652' ' ' LEU . 55.8 t -53.14 -52.29 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 73.41 111.141 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 650' ' ' ALA . 96.4 t -55.37 -36.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 75.12 111.147 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 652' ' ' LEU . 36.2 mt -67.08 -52.71 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 74.24 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.84 -40.62 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -71.17 -55.1 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 63.05 110.894 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.45 -52.92 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 73.24 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 29.6 mt -54.97 -50.55 68.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.88 55.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 74.11 112.454 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.34 -33.19 85.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.768 . . . . 71.13 112.494 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 53.7 m -73.39 -52.17 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 74.43 111.152 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -55.07 38.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 71.1 110.85 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.16 -47.38 81.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 65.12 110.934 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.17 -49.59 77.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -51.99 65.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 72.23 110.937 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -52.35 -53.76 40.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 63.42 110.824 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.18 -36.16 91.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 75.13 112.503 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -67.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 71.44 110.842 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -70.01 -67.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.54 110.84 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 51.57 52.3 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.92 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 172.95 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.43 110.885 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -55.64 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.45 110.883 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 56.49 36.05 26.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 63.41 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -63.42 155.73 28.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.865 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.53 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 70.23 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 169.68 88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 64.52 112.452 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -153.91 92.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 72.21 110.868 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 66.9 m -130.43 -50.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 71.32 111.115 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -64.03 -12.4 38.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 62.32 110.885 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.481 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.8 mt -70.77 -32.41 69.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 62.54 110.867 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.2 m -59.95 -56.22 24.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 64.31 111.11 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 8.4 mmt -62.59 -48.79 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 64.13 110.797 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.85 84.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 54.53 111.101 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.3 mt -61.11 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 74.6 m -60.24 -44.7 95.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.097 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.54 -50.38 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.093 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.91 -50.9 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 54.54 111.183 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.653 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.5 -42.88 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.063 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -55.04 -51.78 51.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 75.03 112.449 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 653' ' ' VAL . 83.7 mt -59.81 -50.95 71.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 72.3 110.908 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 652' ' ' LEU . 56.1 t -53.19 -52.39 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 52.33 111.104 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 650' ' ' ALA . 96.9 t -55.25 -36.4 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.23 111.104 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.8 mt -67.34 -52.96 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 62.31 111.125 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.57 -39.61 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.3 mtm -72.6 -54.93 7.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 64.2 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.2 mtm -57.49 -52.89 63.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 64.03 110.861 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.4 mt -54.65 -50.96 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 74.14 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.02 -51.56 57.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 73.41 112.443 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.29 -33.0 85.54 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.783 -0.723 . . . . 63.23 112.44 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 55.0 m -73.72 -52.27 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 51.41 111.151 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -55.85 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 62.41 110.769 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.82 -46.85 81.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.3 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -59.89 -49.76 76.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.913 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -52.27 65.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.879 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -52.49 -53.91 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.21 110.9 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -66.28 -18.37 67.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 73.42 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -75.37 -66.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 65.35 110.882 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -123.52 67.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.51 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 179.98 34.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.882 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -80.13 -58.38 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.827 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -115.16 60.03 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 63.12 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.24 137.04 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.1 110.829 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -158.41 -61.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.84 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 35.2 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 64.53 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 98.85 97.27 2.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 70.15 112.511 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -118.14 -22.97 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 74.24 110.946 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 85.8 m -75.1 -30.95 61.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 72.42 111.16 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -63.49 -14.2 48.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.888 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 646' ' ' LEU . 10.9 mt -70.73 -32.23 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.52 110.965 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.26 -54.09 49.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.123 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -63.97 -49.31 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.8 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 642' ' ' LEU . 7.1 mt -61.99 -43.23 99.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 73.31 110.922 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 90.3 m -60.98 -43.76 98.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 44.13 111.157 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.62 -51.14 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 71.13 111.198 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.24 -48.26 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.11 111.154 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -62.01 -42.56 99.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.11 111.064 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.89 60.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 45.41 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.54 HD13 HG23 ' B' ' 653' ' ' VAL . 93.6 mt -59.52 -49.83 76.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.843 0.354 . . . . 74.21 110.882 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.528 HG23 HD13 ' B' ' 652' ' ' LEU . 48.0 t -54.67 -51.49 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 75.42 111.13 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 650' ' ' ALA . 88.1 t -55.39 -36.59 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 72.42 111.097 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.7 mt -67.05 -52.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.202 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -58.73 -40.72 84.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 47.7 mtm -71.18 -55.53 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.859 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 25.9 mtm -56.93 -53.12 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 75.33 110.906 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.13 -49.68 71.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.51 110.932 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.07 54.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 64.32 112.509 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.28 -32.23 81.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.815 -0.707 . . . . 53.44 112.455 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.5 m -73.49 -51.56 16.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.794 0.33 . . . . 73.33 111.135 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -54.89 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.7 -47.27 82.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 62.44 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -60.17 -48.84 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.1 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 75.15 110.927 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -52.18 -53.73 39.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 41.31 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.97 -39.39 98.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 74.04 112.424 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -55.9 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 73.3 110.834 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -58.1 -25.68 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 70.42 110.884 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.5 -9.17 58.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.893 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 23.8 p80 38.47 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -116.88 -27.53 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 64.53 110.822 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -29.44 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.14 110.839 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 15.4 m170 63.19 62.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.874 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.832 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 75.11 110.838 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -155.25 88.81 0.12 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.795 -0.717 . . . . 65.53 112.493 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -154.12 92.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 71.1 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.2 m -126.3 -51.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.12 111.156 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.52 -12.81 35.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.803 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.461 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.7 mt -70.85 -32.25 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 63.22 110.904 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.4 m -60.0 -55.95 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 73.4 111.131 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.9 -48.94 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 75.32 110.925 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.24 -40.97 83.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.094 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.1 mt -62.11 -43.07 99.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.955 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 86.9 m -60.92 -43.71 98.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 73.3 111.146 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.52 -51.27 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 71.32 111.109 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 64.7 mt -61.07 -48.32 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 53.52 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.67 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -62.07 -42.5 99.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.06 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.38 56.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.766 -0.731 . . . . 73.4 112.423 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.528 HD13 HG23 ' A' ' 653' ' ' VAL . 93.1 mt -59.15 -49.84 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.895 0.379 . . . . 73.31 110.951 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.54 HG23 HD13 ' A' ' 652' ' ' LEU . 47.8 t -54.69 -51.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.107 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 650' ' ' ALA . 86.9 t -55.36 -36.28 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 55.22 111.137 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' B' ' 652' ' ' LEU . 36.2 mt -67.41 -53.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.064 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.4 -39.86 80.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.883 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 47.9 mtm -72.39 -55.39 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.41 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 25.5 mtm -56.92 -53.18 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.872 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 29.3 mt -54.71 -50.12 69.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 42.53 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.78 56.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 63.4 112.489 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 51.51 112.459 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.4 m -73.91 -51.68 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 64.21 111.174 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.29 -55.64 30.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.885 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.53 -46.71 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.03 110.869 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.89 -49.05 79.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 62.11 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -52.53 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -52.45 -53.92 39.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 53.23 110.855 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -66.56 -23.03 71.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 53.3 112.501 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -69.92 -67.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 74.24 110.817 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -118.13 -33.1 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.877 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 71.22 -68.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.813 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 63.35 158.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.84 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 162.88 6.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 64.24 110.815 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.2 164.02 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.853 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -97.85 111.89 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 29.6 p80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.876 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.777 0.322 . . . . 74.02 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 165.53 91.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 45.2 112.502 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . 0.787 ' HA ' HD12 ' A' ' 642' ' ' LEU . 1.4 mpt_? -116.6 -15.55 10.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 72.24 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 81.5 p -88.12 -46.27 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 72.33 111.131 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -59.02 -15.42 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.859 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 639' ' ' ARG . 11.6 mt -68.87 -33.22 73.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 63.22 110.908 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.9 m -59.87 -54.03 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 65.55 111.104 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 67.9 mtm -63.48 -49.83 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 43.41 110.826 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.19 82.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 71.5 111.115 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 642' ' ' LEU . 7.7 mt -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -42.88 94.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 54.41 111.096 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.46 -52.57 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 74.03 111.098 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 653' ' ' VAL . 62.4 mt -59.99 -44.98 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 41.22 111.154 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.644 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -64.67 -39.56 93.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 71.01 111.069 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.92 -51.1 60.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 64.12 112.507 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' A' ' 655' ' ' ILE . 27.0 mt -59.83 -45.0 93.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 74.14 110.965 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.577 ' CG2' HD13 ' B' ' 652' ' ' LEU . 59.5 t -59.29 -53.55 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.41 111.162 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 650' ' ' ALA . 86.2 t -55.21 -32.59 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 62.21 111.077 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 652' ' ' LEU . 24.3 mt -66.73 -52.76 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 61.41 111.152 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.72 -41.01 85.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 74.21 110.917 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 43.6 mtm -71.07 -55.53 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 60.13 110.838 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 24.6 mtm -56.81 -53.74 54.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.809 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 31.9 mt -54.91 -49.25 71.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 61.2 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.73 50.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 62.54 112.499 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.98 -32.24 81.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.656 -0.783 . . . . 43.34 112.541 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 47.5 m -73.37 -53.82 9.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 60.54 111.083 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.36 -55.13 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 63.31 110.889 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 18.6 mt -56.53 -48.98 76.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.04 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -58.97 -49.26 78.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.959 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -52.13 64.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 70.01 110.947 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -52.18 -53.73 39.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.873 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.14 99.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.731 . . . . 64.01 112.454 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -53.04 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 70.51 110.862 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -51.35 56.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 51.48 47.69 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 52.49 66.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -153.25 155.26 36.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.808 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.94 130.59 50.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 62.52 110.795 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.31 165.84 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.849 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.863 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 31.0 mtt . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.878 0.37 . . . . 73.22 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . -146.41 -108.04 0.54 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.688 -0.767 . . . . 74.32 112.467 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 54.58 91.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 72.04 110.902 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 89.7 m -128.82 -53.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.24 111.146 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -60.23 -14.94 20.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 70.44 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.446 ' O ' HD12 ' B' ' 646' ' ' LEU . 10.8 mt -69.71 -33.01 71.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.872 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.8 m -59.62 -55.72 30.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.31 111.199 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.41 -49.43 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 61.24 110.985 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.3 82.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 53.5 111.107 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.446 HD12 ' O ' ' B' ' 642' ' ' LEU . 7.6 mt -62.07 -44.09 97.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.12 110.937 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 84.9 m -59.78 -42.88 94.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 74.15 111.142 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.44 -52.5 59.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 74.13 111.173 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . 0.413 ' O ' HG23 ' B' ' 653' ' ' VAL . 62.3 mt -60.01 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 60.12 111.194 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.652 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -64.78 -39.5 93.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 71.12 111.07 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -59.79 -51.94 55.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 74.52 112.467 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.7 ' HA ' HD12 ' B' ' 655' ' ' ILE . 26.4 mt -59.26 -45.13 92.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 74.31 110.919 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.568 ' CG2' HD13 ' A' ' 652' ' ' LEU . 60.1 t -59.22 -53.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.11 111.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 650' ' ' ALA . 84.8 t -55.06 -32.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 72.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' B' ' 652' ' ' LEU . 24.6 mt -66.96 -52.89 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 64.05 111.153 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.56 -40.51 83.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.893 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 43.7 mtm -71.77 -55.47 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 71.5 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 24.5 mtm -56.8 -53.8 53.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 61.1 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 31.2 mt -54.65 -49.37 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -61.11 -52.58 51.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 72.44 112.489 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -65.91 -31.99 81.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 74.04 112.493 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 47.3 m -73.68 -53.92 9.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 73.14 111.073 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -55.93 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 64.11 110.823 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 18.7 mt -56.16 -48.37 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 52.23 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -58.68 -49.39 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.15 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -52.6 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 71.24 110.877 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -52.14 -53.99 36.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.84 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.74 97.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.798 -0.715 . . . . 71.54 112.439 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -69.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 73.24 110.863 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -118.14 68.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.89 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -57.97 -35.81 71.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.49 171.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.35 110.827 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 62.16 169.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.843 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -109.83 179.59 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.887 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -109.63 162.72 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 62.01 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 22.4 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.86 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' MET . . . . . . . . . . . . . 48.2 mtt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.861 0.362 . . . . 54.21 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 140.46 144.6 4.5 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 44.51 112.519 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -117.66 -28.32 6.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.911 0.386 . . . . 75.45 110.878 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' THR . . . . . . . . . . . . . 85.5 m -93.74 -32.71 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.21 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.77 -12.42 47.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.854 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 646' ' ' LEU . 8.8 mt -70.39 -32.37 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.876 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 m -60.26 -54.2 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -63.68 -48.95 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 75.24 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.8 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 61.4 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 642' ' ' LEU . 5.6 mt -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.9 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' THR . . . . . . . . . . . . . 83.8 m -60.61 -44.61 96.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.151 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.77 -50.75 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.136 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.22 -50.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.34 111.171 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.639 ' O ' HG23 ' A' ' 654' ' ' VAL . . . -60.96 -43.47 98.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 74.03 111.068 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.94 -51.01 56.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 30.41 112.48 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.523 HD13 HG23 ' B' ' 653' ' ' VAL . 86.2 mt -59.88 -51.11 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 43.02 110.872 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.514 HG23 HD13 ' B' ' 652' ' ' LEU . 54.2 t -52.91 -52.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 72.02 111.154 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 650' ' ' ALA . 94.1 t -55.64 -36.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 63.53 111.136 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 652' ' ' LEU . 35.0 mt -67.03 -52.75 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.164 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.87 -40.68 85.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.904 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' MET . . . . . . . . . . . . . 46.1 mtm -71.22 -55.02 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 63.14 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' MET . . . . . . . . . . . . . 26.8 mtm -57.5 -53.12 61.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 62.44 110.836 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 30.7 mt -55.0 -49.23 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 62.51 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.96 -52.32 53.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 71.02 112.486 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.59 -31.86 79.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 73.41 112.474 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 45.4 m -73.46 -51.99 15.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.829 0.347 . . . . 71.04 111.134 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -54.95 38.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.875 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.87 -48.5 79.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.861 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -58.87 -48.28 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.891 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -52.06 67.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 64.23 110.884 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -55.14 -32.2 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 62.21 110.882 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -79.73 -56.94 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 74.53 112.521 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -27.83 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 75.54 110.887 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -62.57 -47.14 85.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 72.42 110.882 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -77.62 -28.5 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.83 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -33.72 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 64.31 110.851 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -90.99 169.87 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.876 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.44 163.14 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -93.86 -31.7 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 70.1 110.887 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.35 110.845 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 73.4 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' GLY . . . . . . . . . . . . . . . 172.7 92.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 35.44 112.518 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.0 92.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 74.43 110.837 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' THR . . . . . . . . . . . . . 81.1 m -130.57 -50.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 71.24 111.129 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -11.64 37.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.903 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.48 ' O ' HD12 ' B' ' 646' ' ' LEU . 8.8 mt -70.74 -32.39 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.925 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' THR . . . . . . . . . . . . . 2.0 m -60.03 -56.35 22.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 65.13 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' MET . . . . . . . . . . . . . 26.1 mmm -62.44 -48.71 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.898 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 645' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.88 84.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 62.43 111.159 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 646' ' ' LEU . . . . . 0.48 HD12 ' O ' ' B' ' 642' ' ' LEU . 5.5 mt -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.877 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 647' ' ' THR . . . . . . . . . . . . . 79.6 m -60.64 -44.51 96.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.01 111.116 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 648' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.78 -50.62 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.164 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 649' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.17 -50.31 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 74.13 111.133 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . 0.66 ' O ' HG23 ' B' ' 654' ' ' VAL . . . -60.86 -43.41 98.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.53 111.088 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 651' ' ' GLY . . . . . . . . . . . . . . . -54.73 -51.76 50.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 34.23 112.477 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 652' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 653' ' ' VAL . 85.9 mt -59.59 -51.14 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 55.42 110.912 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 653' ' ' VAL . . . . . 0.523 HG23 HD13 ' A' ' 652' ' ' LEU . 53.1 t -52.99 -51.98 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 53.2 111.121 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 654' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 650' ' ' ALA . 97.1 t -55.54 -36.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 75.41 111.159 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 655' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 652' ' ' LEU . 35.3 mt -67.3 -52.83 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 63.45 111.151 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 656' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.67 -39.77 81.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 54.04 110.859 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 657' ' ' MET . . . . . . . . . . . . . 46.4 mtm -72.45 -54.98 7.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 658' ' ' MET . . . . . . . . . . . . . 26.7 mtm -57.41 -53.14 61.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 61.33 110.952 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 659' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.65 -49.61 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 62.12 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.92 -52.07 54.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 61.32 112.515 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 661' ' ' GLY . . . . . . . . . . . . . . . -66.43 -31.55 79.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 74.3 112.509 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 662' ' ' THR . . . . . . . . . . . . . 46.0 m -74.04 -52.14 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 72.34 111.157 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 663' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -55.7 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.874 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 664' ' ' LEU . . . . . . . . . . . . . 19.8 mt -57.45 -47.88 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 665' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -58.72 -48.63 80.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.977 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 666' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -52.4 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 72.13 110.888 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -54.83 -32.16 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 71.24 110.919 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 668' ' ' GLY . . . . . . . . . . . . . . . -85.77 -21.73 52.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 33.23 112.55 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -75.21 -56.76 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 75.25 110.83 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.01 -28.64 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.4 t60 71.24 -68.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -86.19 177.05 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 54.03 110.907 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 673' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -159.86 142.64 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 75.45 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 674' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -98.28 102.46 14.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.96 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 675' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -82.06 176.05 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 73.14 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 676' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.836 -179.954 . . . . . . . . 0 0 . 1 stop_ save_