data_2k9j_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 2k9j _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 ' 966' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 111.319 0.118 . . . . 3.0099999999999998 111.319 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -67.61 -48.86 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.383 -0.927 . . . . 2.0099999999999998 110.345 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -61.82 -37.76 85.64 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.131 -0.94 . . . . 1.52 110.626 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 37.4 t -62.38 -43.77 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.085 -0.709 . . . . 1.99 109.085 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.98 -40.73 96.62 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.869 -0.789 . . . . 2.5699999999999998 108.869 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.59 -46.48 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.494 -0.558 . . . . 2.0 109.494 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.5 97.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.347 -1.101 . . . . 0.69999999999999996 110.347 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.72 -44.74 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.907 -0.405 . . . . 1.48 109.907 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.12 -44.07 97.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.028 0.442 . . . . 2.5299999999999998 110.218 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.51 96.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.828 -0.909 . . . . 0.93999999999999995 110.828 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.57 96.72 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.503 -1.039 . . . . 0.78000000000000003 110.503 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.24 -40.79 97.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.171 -0.677 . . . . 2.6000000000000001 109.171 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 7.9 tp -62.46 -40.7 97.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.158 -0.928 . . . . 2.4300000000000002 110.622 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.956 -0.565 . . . . 2.3700000000000001 110.484 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.5900000000000001 110.627 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.5 m -61.4 -42.3 98.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 1.2 110.723 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.14 -44.51 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.917 -0.313 . . . . 1.77 111.481 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.65 -42.62 98.08 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.251 -0.58 . . . . 2.3500000000000001 110.602 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 1.3 110.275 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.57 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.839 -0.619 . . . . 2.2999999999999998 110.795 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.89 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.516 -0.311 . . . . 1.23 111.616 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 41.4 mtt -66.5 -39.25 88.6 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.639 -0.425 . . . . 2.5 110.721 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.435 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.8 t90 -59.36 -38.49 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.611 -0.436 . . . . 1.49 109.923 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -13.59 62.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.123 -0.49 . . . . 1.8600000000000001 110.61 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 72.6 t -91.59 -12.84 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.921 -0.4 . . . . 1.8 109.921 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.35 86.3 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.822 -1.311 . . . . 0.88 109.822 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.44 -39.85 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.201 -0.499 . . . . 2.8599999999999999 110.743 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -92.47 -3.59 54.93 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.183 -0.462 . . . . 3.2799999999999998 109.958 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.68 128.06 49.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.894 -0.593 . . . . 3.96 110.108 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 . . . . . 0 C--N 1.342 0.278 0 N-CA-C 109.661 -0.496 . . . . 2.73 109.661 179.433 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' B' ' 696' ' ' VAL . 12.5 m-20 . . . . . 0 CA--C 1.507 -0.681 0 N-CA-C 106.443 -1.688 . . . . 3.0 106.443 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' B' ' 697' ' ' LEU . 3.6 tt -57.57 -39.85 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 114.063 -1.426 . . . . 2.1000000000000001 107.575 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.91 -47.5 77.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.271 -0.64 . . . . 2.4500000000000002 109.271 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.23 -48.65 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 115.811 -0.631 . . . . 1.5900000000000001 110.689 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' B' ' 692' ' ' ASP . 53.7 t -65.7 -44.88 93.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.443 -0.799 . . . . 1.6699999999999999 110.407 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' B' ' 693' ' ' ILE . 59.0 tp -61.57 -43.8 98.2 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.31 -0.996 . . . . 1.8300000000000001 108.31 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 31.4 mt -62.92 -44.54 95.81 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.223 -0.658 . . . . 2.4399999999999999 109.223 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.5 m -63.98 -44.0 94.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.90000000000000002 109.971 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.28 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.41 -0.589 . . . . 2.2599999999999998 109.41 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.16 -42.07 99.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.741 -0.663 . . . . 1.53 110.479 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.59 -42.35 95.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.543 -0.623 . . . . 0.63 111.543 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.36 99.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 1.26 110.647 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.15 -42.14 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.164 -0.471 . . . . 2.29 110.753 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.99 -41.88 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 2.3999999999999999 109.313 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.386 -0.598 . . . . 2.5299999999999998 109.386 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.23 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.134 -0.485 . . . . 1.8700000000000001 110.177 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.9 -46.55 94.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.277 -1.129 . . . . 0.47999999999999998 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.61 -43.0 95.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.835 0.35 . . . . 1.95 110.898 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.65 98.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.39 . . . . 1.21 111.501 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.31 95.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.059 0.457 . . . . 1.21 110.206 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.72 -40.8 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.77 -0.65 . . . . 2.9100000000000001 109.552 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 33.1 tp -62.5 -41.75 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 2.3799999999999999 110.23 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 714' ' ' ILE . 94.4 mt -62.72 -43.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 1.76 110.155 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.52 -41.96 86.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.889 -0.782 . . . . 1.3799999999999999 108.889 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.71 95.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.331 -0.849 . . . . 1.78 109.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -40.66 94.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 2.5299999999999998 110.129 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.41 -43.86 98.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.637 -0.425 . . . . 2.54 110.486 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -41.48 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.185 -0.672 . . . . 1.99 109.185 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.5 m -59.07 -44.6 91.88 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.519 -0.472 . . . . 1.53 109.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.87 -46.65 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.198 -0.601 . . . . 2.3300000000000001 110.061 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -64.96 -42.38 94.64 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.68 -0.408 . . . . 2.6000000000000001 110.261 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.094 0.473 . . . . 1.8600000000000001 110.086 179.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.3 mm . . . . . 0 N--CA 1.46 0.054 0 CA-C-O 120.692 0.282 . . . . 1.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.12 -36.81 68.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.42 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -59.37 -38.72 81.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.76 -44.35 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.715 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.21 -40.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.222 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.61 -45.29 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.55 -38.84 96.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.41 -44.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.61 0.243 . . . . 1.0 110.707 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.2 -42.95 99.76 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.673 -0.411 . . . . 1.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.65 -40.38 98.54 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -64.15 -37.85 95.14 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.834 -0.907 . . . . 1.0 110.834 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.68 -41.09 98.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.23 -39.87 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.589 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.24 -44.29 97.5 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.819 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.68 -42.9 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.046 0.451 . . . . 1.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 98.5 m -63.28 -46.73 85.47 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.736 -0.665 . . . . 1.0 112.708 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.0 tt -67.25 -41.21 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.142 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.6 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.1 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.82 -43.01 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.314 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.7 98.24 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.593 -0.443 . . . . 1.0 111.109 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.2 mmm -65.89 -39.78 90.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.448 . . . . 1.0 110.688 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.496 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.2 t90 -64.5 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.379 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -12.49 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 110.593 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 78.2 t -87.19 -20.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.302 -0.559 . . . . 1.0 109.635 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.45 5.78 89.65 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.293 -1.123 . . . . 1.0 110.293 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 1.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 65.9 m-85 -89.24 -4.74 58.08 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.229 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -115.62 124.06 49.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.703 -0.481 . . . . 1.0 109.703 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.516 HH12 ' CG ' ' B' ' 723' ' ' ASP . 89.3 mtm180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.583 0.23 . . . . 1.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' B' ' 694' ' ' LEU . 11.1 tp -65.43 -39.2 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.046 -0.353 . . . . 1.0 110.046 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' B' ' 693' ' ' ILE . 90.0 mt -62.69 -41.56 99.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.339 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.89 -44.72 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.94 -45.09 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.704 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -43.18 99.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.728 0.299 . . . . 1.0 110.532 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.67 -39.86 95.4 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.651 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.4 m -60.36 -42.34 95.57 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.444 0.64 . . . . 1.0 110.671 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.35 -45.81 92.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.19 -1.004 . . . . 1.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 97.2 mtp -63.46 -40.98 98.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.303 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.84 99.6 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.938 -0.649 . . . . 1.0 111.998 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.99 94.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 1.0 110.758 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.69 -42.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.55 -41.84 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.19 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 1.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.05 -43.85 97.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.384 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.03 99.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.268 -1.133 . . . . 1.0 110.268 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.05 -42.18 99.66 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.5 84.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.798 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.51 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.529 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.69 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.683 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.44 -40.37 96.97 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.315 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.7 -42.87 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 1.0 110.384 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.445 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.7 t90 -59.98 -37.93 81.07 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.432 0.634 . . . . 1.0 110.0 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -45.03 88.14 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.72 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.97 -40.11 95.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.33 -44.45 96.46 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.351 0.501 . . . . 1.0 112.351 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.41 -37.62 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.022 0.439 . . . . 1.0 110.726 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.6 m -61.43 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.11 -44.64 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.951 -0.699 . . . . 1.0 110.842 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -61.73 -42.1 98.52 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.694 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.516 ' CG ' HH12 ' A' ' 995' ' ' ARG . 40.9 m-20 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.142 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.776 0.322 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -57.27 -38.97 74.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.591 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.73 -41.66 97.93 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.111 -0.636 . . . . 1.0 110.722 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.21 -44.34 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.058 0.456 . . . . 1.0 110.109 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.4 -42.04 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.3 t -61.91 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.421 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.66 98.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.32 -44.74 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 1.0 110.428 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.27 -43.24 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.293 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -64.12 -34.9 91.16 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.47 -1.052 . . . . 1.0 110.47 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.03 88.74 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.97 -42.03 98.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 978' ' ' LEU . 4.1 mm? -62.49 -40.17 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.266 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 40.9 tp -60.95 -44.52 97.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.031 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.81 -42.15 97.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.0 110.127 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.3 m -62.86 -45.07 94.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.825 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.35 -43.54 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.11 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.38 -0.528 . . . . 1.0 109.963 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.47 -44.04 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.886 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.01 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.358 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.94 97.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 94.8 mtp -65.62 -40.45 92.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 1.0 110.7 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.2 t90 -63.35 -38.66 92.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.47 . . . . 1.0 111.124 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -13.09 61.18 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 31.0 m -93.68 -3.11 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 119.723 -0.791 . . . . 1.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.2 80.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.363 -0.695 . . . . 1.0 111.363 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 3.3 t80 -61.43 -43.1 99.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.718 0.294 . . . . 1.0 111.64 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -88.0 -2.6 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.332 -0.547 . . . . 1.0 111.286 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -90.37 123.85 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.2 -0.666 . . . . 1.0 109.2 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.766 0.317 . . . . 1.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.7 -25.95 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.618 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.13 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.75 -44.42 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.461 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.76 -44.86 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.736 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.06 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.485 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.26 -41.72 99.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 1.0 110.429 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.3 m -60.27 -42.01 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.589 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.13 -46.25 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.77 -40.82 97.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.56 -41.05 99.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.628 -0.589 . . . . 1.0 111.628 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.024 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.88 -42.43 97.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.288 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.59 -43.65 98.28 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.401 -0.52 . . . . 1.0 109.978 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.17 -43.57 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.282 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.52 -45.23 96.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.5 -1.04 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 1.0 110.506 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.86 97.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.489 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.25 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.104 -0.639 . . . . 1.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.32 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.423 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.31 -42.79 99.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.669 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 714' ' ' ILE . 94.9 mt -63.32 -43.96 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.052 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.15 -42.13 94.23 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -42.04 97.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.56 -42.71 99.72 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.805 0.812 . . . . 1.0 110.626 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.411 HD11 HG23 ' B' ' 719' ' ' ILE . 71.5 mt -67.76 -42.5 86.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.937 178.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -62.26 -44.17 97.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.345 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.46 -42.02 86.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.684 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -67.7 -38.35 83.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.05 -0.66 . . . . 1.0 110.975 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 N--CA 1.465 0.323 0 C-N-CA 120.047 -0.661 . . . . 1.0 109.598 -179.541 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 112.486 0.55 . . . . 1.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -56.65 -38.92 72.85 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.646 -0.422 . . . . 1.0 111.776 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -60.79 -39.05 87.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.138 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.07 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 1.0 110.79 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.72 -40.68 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -45.67 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.415 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.56 96.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.491 -1.043 . . . . 1.0 110.491 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.36 -44.11 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 1.0 110.887 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.82 -43.14 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.38 -32.78 85.31 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -61.61 -34.89 90.11 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.324 -0.71 . . . . 1.0 111.324 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.96 -40.62 96.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.112 0.482 . . . . 1.0 109.775 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.8 -40.97 97.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.618 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.39 -43.98 97.95 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.14 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.3 -42.43 96.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.138 0.494 . . . . 1.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.32 -44.95 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.503 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.1 -44.0 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.865 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.22 99.42 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.229 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 68.4 t -64.31 -44.03 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.82 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.87 -42.63 99.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.16 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.429 -0.509 . . . . 1.0 111.332 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.18 -41.05 90.82 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -63.07 -38.55 91.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.43 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -11.53 46.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.92 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.93 -18.31 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.413 -0.515 . . . . 1.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.98 5.93 89.34 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.62 -42.35 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.637 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.456 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.3 m-85 -88.89 -4.17 58.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.9 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.74 124.88 35.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.525 HH22 ' CG ' ' B' ' 723' ' ' ASP . 42.5 ttm180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.754 0.312 . . . . 1.0 110.793 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.91 -43.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.747 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.48 -42.31 99.4 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.523 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.1 -44.49 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.13 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.72 -44.82 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.447 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -42.95 99.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.171 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.57 -43.29 99.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -61.03 -41.7 97.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.164 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.49 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.93 -40.96 99.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.835 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.67 96.55 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.296 0.57 . . . . 1.0 110.656 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.59 -43.49 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.912 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.169 -0.612 . . . . 1.0 109.971 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.23 -43.02 92.78 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.968 -0.693 . . . . 1.0 110.94 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.57 -43.27 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.009 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.79 -41.44 98.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.339 -1.104 . . . . 1.0 110.339 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.89 -41.59 97.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 1.0 110.168 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.7 92.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.469 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.96 96.24 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.405 -0.518 . . . . 1.0 109.985 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.15 -41.52 99.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.056 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.585 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.13 -43.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 1.0 110.208 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.456 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.49 -43.8 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.81 99.52 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.718 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.19 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.436 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.0 -43.66 98.18 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.58 -38.48 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 84.8 m -62.17 -44.41 96.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.979 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . 0.406 HG22 HD12 ' B' ' 721' ' ' ILE . 95.1 mt -62.84 -43.95 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.041 -0.264 . . . . 1.0 111.089 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -64.98 -40.7 95.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.624 -0.431 . . . . 1.0 110.368 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.525 ' CG ' HH22 ' A' ' 995' ' ' ARG . 54.0 m-20 . . . . . 0 C--N 1.331 -0.224 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 111.534 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.45 -37.98 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.581 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.58 -41.58 90.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.71 -43.67 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.218 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.88 -41.89 98.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.421 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 67.6 t -61.48 -45.38 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.356 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.7 95.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.13 -44.39 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.695 0.283 . . . . 1.0 110.569 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.1 -42.07 98.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.927 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.14 -28.04 70.0 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -61.17 -34.42 87.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.51 -40.85 98.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.24 -41.73 98.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.347 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.458 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 7.2 tt -61.5 -44.29 97.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.941 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.86 -41.26 99.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 1.0 110.188 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.46 -43.86 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 112.068 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.61 -44.67 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.407 -0.517 . . . . 1.0 111.648 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.67 -40.89 97.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.817 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.91 -44.65 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.846 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.53 -41.91 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.032 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.3 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.62 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.47 -37.57 85.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.548 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.619 ' NE1' ' NZ ' ' A' ' 994' ' ' LYS . 11.7 t90 -57.76 -39.27 77.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.007 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -12.17 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.55 -3.56 10.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.38 66.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.744 -0.542 . . . . 1.0 111.744 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 4.0 t80 -61.02 -42.61 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 1.0 110.901 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -92.4 0.93 57.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.632 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . 0.619 ' NZ ' ' NE1' ' A' ' 988' ' ' TRP . 64.8 mttp -102.77 124.59 48.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.172 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.608 HH21 ' CG2' ' B' ' 719' ' ' ILE . 56.3 ttm-85 . . . . . 0 N--CA 1.45 -0.475 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.899 0.381 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 31.5 mm -63.66 -44.0 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.657 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.01 -39.86 95.04 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.726 0.774 . . . . 1.0 109.856 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.26 -44.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.461 0.648 . . . . 1.0 109.799 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.81 -43.89 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.228 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.25 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.752 0.31 . . . . 1.0 110.442 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.18 -42.05 99.31 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.9 m -61.46 -42.53 98.92 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.735 0.779 . . . . 1.0 109.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.94 -43.74 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.958 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.29 -40.61 97.83 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.902 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.45 Favored Glycine 0 CA--C 1.537 1.423 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.17 96.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.371 0.605 . . . . 1.0 109.826 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.29 -43.38 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.486 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.289 -0.564 . . . . 1.0 110.735 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.47 -42.81 98.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 1.0 110.635 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.47 -43.93 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.331 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.97 98.4 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.53 -42.43 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.794 0.331 . . . . 1.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.362 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.0 97.14 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.548 -0.461 . . . . 1.0 110.599 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.66 -41.96 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.645 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.95 -41.9 99.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.519 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.17 -44.08 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.631 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -63.27 -41.79 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 1.0 108.965 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -41.32 94.74 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.275 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.8 -40.99 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.761 -0.375 . . . . 1.0 110.499 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.69 -42.29 99.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.031 0.443 . . . . 1.0 110.696 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.608 ' CG2' HH21 ' A' ' 995' ' ' ARG . 91.7 mt -65.0 -40.45 89.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.944 0.878 . . . . 1.0 109.33 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 85.9 m -61.02 -43.3 99.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 119.625 -0.83 . . . . 1.0 110.032 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.14 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -68.47 -39.27 81.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.657 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 68.5 t0 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.99 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.213 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -60.71 -39.12 87.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.297 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.6 -44.02 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.36 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.27 -41.41 98.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.18 -44.8 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.62 93.64 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.631 -0.987 . . . . 1.0 110.631 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.87 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 1.0 110.165 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.69 -41.31 99.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 1.0 109.831 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.48 90.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.96 -40.92 99.11 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.82 -41.87 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.426 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.89 -41.71 95.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 1.0 109.566 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.1 m -63.07 -44.7 95.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.909 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.55 -44.37 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.033 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.06 -40.38 97.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.468 0.652 . . . . 1.0 110.43 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.09 -43.32 85.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 122.114 0.959 . . . . 1.0 110.976 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.42 -42.66 92.34 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.998 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.92 -42.95 94.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.926 -1.509 . . . . 1.0 111.504 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.27 -38.64 85.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.821 0.82 . . . . 1.0 110.797 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.492 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -62.41 -37.19 84.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.372 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -12.21 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.47 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.44 -19.22 7.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.149 0.5 . . . . 1.0 109.754 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.18 6.18 89.02 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.424 -1.071 . . . . 1.0 110.424 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.72 -42.52 99.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 57.4 m-85 -89.89 -3.04 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.408 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -97.41 123.65 41.32 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.08 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 95.4 mtt180 . . . . . 0 C--N 1.329 -0.312 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.456 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.72 -26.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.674 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.02 -43.47 98.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.044 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.68 -43.6 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 1.0 109.658 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.33 -43.53 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.809 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.28 97.61 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.803 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 8.4 mp -64.1 -41.91 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.312 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.3 m -60.81 -45.27 95.1 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.37 -37.45 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.77 -41.03 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.66 97.78 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.568 -1.013 . . . . 1.0 110.568 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.828 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.16 -43.67 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.136 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.91 -41.8 99.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.028 0.442 . . . . 1.0 109.847 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.997 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.06 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.945 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.61 -40.31 98.98 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.165 -1.174 . . . . 1.0 110.165 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.17 -42.09 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 1.0 110.481 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.75 90.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.475 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.1 96.29 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 119.956 -0.698 . . . . 1.0 110.197 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.157 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.69 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.55 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.43 -43.96 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-O 121.304 0.573 . . . . 1.0 110.07 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.8 t90 -60.8 -42.44 97.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.91 91.53 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.907 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.13 -40.68 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.542 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.94 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.317 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.7 m -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.43 -43.35 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.029 0.442 . . . . 1.0 110.507 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -64.44 -38.36 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.534 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 47.0 m-20 . . . . . 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.778 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.233 0.205 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -57.33 -39.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.564 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -61.45 -40.74 95.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.905 -0.718 . . . . 1.0 110.425 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.43 -43.8 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.49 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.46 -41.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.55 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.59 -45.55 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.678 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.28 98.9 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.87 -44.79 99.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 1.0 110.457 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 1.0 109.968 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.89 -23.44 63.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.93 91.37 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.5 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.86 -40.83 98.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.69 -42.69 99.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.896 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.91 -42.05 97.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.482 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 16.0 m -62.85 -41.73 99.47 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.397 -0.819 . . . . 1.0 111.67 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.0 -44.78 99.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 119.56 -0.856 . . . . 1.0 110.898 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -41.72 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.48 . . . . 1.0 110.223 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.2 -43.35 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.494 -0.775 . . . . 1.0 111.019 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.629 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.26 96.23 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.434 -0.507 . . . . 1.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 74.9 mtm -65.69 -40.4 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 111.284 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.0 t90 -60.1 -37.89 81.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.349 0.595 . . . . 1.0 110.028 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -36.02 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 1.0 111.567 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 992' ' ' PHE . 10.2 m -89.59 -15.04 8.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.823 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 75.98 7.73 84.31 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . 0.434 ' H ' HG22 ' A' ' 990' ' ' VAL . 3.7 t80 -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.981 -0.288 . . . . 1.0 110.845 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 32.8 m-85 -97.41 -4.17 38.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.764 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.1 mttt -134.19 144.89 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 1.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 95.9 mtt180 . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.495 0.188 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 19.6 tt -66.05 -39.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.031 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.22 -41.82 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.139 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.87 -45.09 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.505 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.89 -42.39 99.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.182 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.23 -43.09 99.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.2 m -60.85 -41.79 96.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.193 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.73 -44.77 99.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.35 -41.41 98.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.949 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.69 96.66 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.737 -0.744 . . . . 1.0 111.323 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.39 93.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 1.0 111.276 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.62 -44.09 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.519 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.13 -41.68 99.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.224 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.412 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.52 -43.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.948 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.18 99.15 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.83 -41.55 99.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.856 0.36 . . . . 1.0 110.766 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.98 84.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.835 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.62 97.9 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.66 -39.99 95.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.49 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.3 -42.7 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.287 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.43 -43.62 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.61 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.369 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -41.43 97.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.134 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -42.95 98.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.99 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.09 -44.02 96.88 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.1 tt -68.49 -38.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.417 -0.513 . . . . 1.0 110.67 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.0 m -61.58 -44.13 97.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.944 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.04 -43.57 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.799 -0.361 . . . . 1.0 111.173 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.24 -39.4 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.677 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 70.1 m-20 . . . . . 0 N--CA 1.466 0.331 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.779 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.623 0.249 . . . . 1.0 111.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.95 -41.86 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.842 -0.343 . . . . 1.0 111.039 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.64 -40.83 98.25 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.631 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.21 -44.12 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.816 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.97 -41.2 97.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.523 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.9 -44.91 99.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -41.32 99.72 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.181 -0.768 . . . . 1.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.81 -44.14 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.953 -0.299 . . . . 1.0 110.44 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.93 -42.68 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.468 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.97 -40.7 99.63 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.97 -39.89 97.73 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.16 -40.44 97.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 1.0 110.217 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -41.73 97.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.294 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.9 tt -61.47 -44.61 96.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.354 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.44 -42.8 98.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.531 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.77 -45.25 93.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.624 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 1.0 111.197 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.95 -43.4 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 1.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.45 -44.23 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.272 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.69 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.719 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.3 mtt -64.87 -41.05 95.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 1.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.449 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.7 t90 -62.37 -40.6 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.267 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -11.74 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.037 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.09 -16.71 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 1.0 110.163 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.55 11.58 81.65 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.069 -1.212 . . . . 1.0 110.069 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.54 -42.49 98.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.287 -0.456 . . . . 1.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 59.9 m-85 -98.64 -0.93 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.039 0.385 . . . . 1.0 112.039 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -112.13 129.82 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 1.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.568 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.6 mtt180 . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 108.813 -0.81 . . . . 1.0 108.813 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 120.871 0.367 . . . . 1.0 110.796 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.6 -26.02 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.383 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.895 0.331 . . . . 1.0 111.895 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' B' ' 696' ' ' VAL . 1.9 m -64.2 -40.85 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.201 -0.6 . . . . 1.0 110.161 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.435 ' N ' ' CG2' ' B' ' 695' ' ' VAL . 68.3 t -62.97 -44.49 99.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.02 -42.99 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.057 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.0 -42.09 99.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.905 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -60.2 -41.37 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.46 -46.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.564 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.542 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.47 -39.5 96.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.498 -0.641 . . . . 1.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.02 99.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.986 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 33.1 mm -64.12 -43.27 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 1.0 110.172 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.68 -42.09 98.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.346 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.28 -41.86 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.69 -43.43 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.0 109.837 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.24 99.32 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.353 -1.099 . . . . 1.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.92 -42.47 99.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 1.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.98 93.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.083 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.85 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.309 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.3 -42.85 99.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.52 -43.72 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 1.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.89 -43.07 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.53 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.81 97.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.905 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.98 -42.71 99.91 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.294 -0.563 . . . . 1.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.7 -45.16 94.04 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.83 -38.36 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.781 -0.768 . . . . 1.0 110.279 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.0 m -58.41 -41.93 86.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.904 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.99 -41.86 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.732 0.777 . . . . 1.0 110.029 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -70.73 -34.81 72.27 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.568 ' CG ' HH12 ' A' ' 995' ' ' ARG . 67.5 t0 . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.751 -1.113 . . . . 1.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.089 0.471 . . . . 1.0 110.661 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.15 -36.73 71.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.492 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -57.9 -40.75 81.08 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.746 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.08 -42.95 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.953 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.82 -42.74 99.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 1.0 112.331 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.5 -41.49 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.928 -0.709 . . . . 1.0 110.238 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.22 95.66 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.136 -1.186 . . . . 1.0 110.136 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.44 -44.45 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 1.0 110.5 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.58 -41.54 99.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.35 -38.35 95.56 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.95 95.71 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.214 -1.154 . . . . 1.0 110.214 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.87 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 1.0 110.345 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -40.36 96.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.621 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.466 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.5 tt -60.74 -45.38 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.465 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.95 -42.31 97.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 1.0 110.104 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 81.6 m -62.46 -44.48 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.443 -0.798 . . . . 1.0 112.227 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 982' ' ' ILE . 92.4 mt -62.94 -44.12 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.714 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.3 -42.03 99.01 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.149 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.3 -44.36 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.189 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.403 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.4 93.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.146 -0.622 . . . . 1.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.04 -40.83 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.779 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.6 t90 -61.77 -41.19 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.414 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -13.87 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.053 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.3 t -90.61 -17.49 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.363 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 8.31 77.69 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.76 -42.46 99.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 1.0 110.54 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.434 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 41.8 m-85 -88.09 -2.55 58.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.401 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.42 129.1 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.533 HH12 ' CG ' ' B' ' 723' ' ' ASP . 59.5 ttt85 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.59 0.233 . . . . 1.0 111.168 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.7 tt -65.97 -40.9 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.886 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.53 -42.19 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.176 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.79 -44.36 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.85 -44.44 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.95 -43.24 99.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.858 0.361 . . . . 1.0 110.472 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.88 -41.5 97.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.066 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.8 m -60.33 -44.53 95.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.249 0.463 . . . . 1.0 112.249 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -65.36 -41.55 91.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.727 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.74 -40.85 97.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.53 99.28 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.54 -0.624 . . . . 1.0 111.54 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.62 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.955 0.407 . . . . 1.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.98 -43.34 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.16 -41.84 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.62 -43.71 98.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.93 -43.96 98.71 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.383 -1.087 . . . . 1.0 110.383 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.91 -41.89 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.093 0.473 . . . . 1.0 110.849 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.7 94.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.908 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.44 97.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 1.0 110.453 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.08 -41.62 97.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.505 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.83 -45.32 94.33 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 121.956 0.884 . . . . 1.0 109.792 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.176 -1.41 . . . . 1.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.434 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.54 -42.64 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.28 92.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.146 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.87 -39.87 95.75 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.567 -0.453 . . . . 1.0 111.031 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.88 -42.47 99.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.977 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.68 -43.64 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 121.295 0.569 . . . . 1.0 110.388 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 11.9 m -61.74 -42.61 99.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.686 1.231 . . . . 1.0 110.782 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.2 -44.02 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 118.511 -1.276 . . . . 1.0 111.253 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -65.55 -40.86 93.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.98 -0.688 . . . . 1.0 109.815 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.533 ' CG ' HH12 ' A' ' 995' ' ' ARG . 42.4 m-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.114 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 119.773 -0.156 . . . . 1.0 111.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -60.88 -38.56 86.06 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 122.056 0.931 . . . . 1.0 111.217 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.08 -46.29 81.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 120.0 -0.68 . . . . 1.0 112.565 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.36 -37.71 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 119.675 -0.81 . . . . 1.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.863 0.363 . . . . 1.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.14 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.691 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.26 97.31 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.3 -44.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.0 110.354 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.47 -42.15 99.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.143 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.84 98.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.11 -40.37 99.11 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.413 -1.075 . . . . 1.0 110.413 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 1.0 110.033 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.08 -42.03 98.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 979' ' ' LEU . 2.7 tm? -61.27 -44.13 97.73 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.13 -41.85 99.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.135 0.493 . . . . 1.0 110.262 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.3 m -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.961 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -44.62 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.404 -0.518 . . . . 1.0 111.732 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.53 -34.71 78.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.344 1.545 . . . . 1.0 110.577 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.9 -44.43 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 119.026 -1.069 . . . . 1.0 110.777 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.77 -40.07 96.12 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 122.603 1.192 . . . . 1.0 109.569 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.58 94.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 119.052 -1.059 . . . . 1.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 57.8 mtt -64.0 -40.84 97.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.492 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.9 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -11.72 60.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.138 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 36.8 t -90.31 -15.77 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.095 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 85.05 12.5 73.83 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . 0.41 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 4.5 t80 -61.3 -42.26 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.969 -0.292 . . . . 1.0 110.625 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.443 ' CD1' ' CZ2' ' B' ' 715' ' ' TRP . 14.8 m-85 -87.97 -1.54 58.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.268 -0.573 . . . . 1.0 110.456 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -114.03 130.83 56.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.535 HH22 ' CG ' ' B' ' 723' ' ' ASP . 85.3 mtp180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.66 0.267 . . . . 1.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.4 tt -66.24 -39.52 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.07 -41.87 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.145 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.88 -44.62 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.33 -43.73 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.43 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.53 -43.83 98.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.449 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.1 -41.2 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.139 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 64.3 m -60.24 -44.53 95.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 1.0 112.061 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 17.2 m -65.71 -40.96 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.631 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.51 -40.78 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 1.0 110.402 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.93 -40.74 98.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.56 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.74 -43.4 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.406 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.01 -42.9 99.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.04 -42.05 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.231 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.51 -43.73 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.977 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.23 99.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.494 -1.042 . . . . 1.0 110.494 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.19 -42.55 99.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.379 . . . . 1.0 110.223 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.87 81.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.572 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.27 85.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.2 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.25 -41.66 99.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.085 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.15 -43.78 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.819 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 993' ' ' PHE . 2.0 t90 -59.51 -43.92 93.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.196 0.522 . . . . 1.0 109.665 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.33 98.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 1.0 110.139 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.79 -39.76 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.143 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.67 -42.62 99.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.122 -0.631 . . . . 1.0 111.298 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.97 -43.85 97.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 120.391 -0.524 . . . . 1.0 109.895 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -61.63 -44.97 95.99 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 120.886 0.374 . . . . 1.0 111.248 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.62 -45.04 99.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.234 -0.986 . . . . 1.0 110.747 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -66.26 -39.65 89.6 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.857 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.535 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.4 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 1.0 110.792 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.9 pt . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 111.609 0.226 . . . . 1.0 111.609 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -61.92 -38.39 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.158 -0.617 . . . . 1.0 111.536 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -60.66 -47.61 85.5 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.216 0.45 . . . . 1.0 112.216 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.29 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.275 -0.57 . . . . 1.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.93 -42.32 99.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.296 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.89 -44.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.986 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.04 97.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.681 -0.568 . . . . 1.0 111.681 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.24 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.569 -0.452 . . . . 1.0 110.726 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.61 -40.72 97.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.627 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.29 98.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.63 -39.6 97.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.334 -1.107 . . . . 1.0 110.334 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.25 -40.94 98.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.049 0.452 . . . . 1.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.12 -41.28 98.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.811 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.14 -42.47 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.676 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.0 m -62.7 -47.48 83.42 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.1 tt -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.147 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.02 -41.54 99.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 1.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 64.5 t -62.08 -44.73 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.51 -42.03 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.96 -40.93 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.639 -0.425 . . . . 1.0 110.661 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.42 -38.16 86.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.908 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.448 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.8 t90 -58.21 -40.39 81.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 1.0 110.337 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -12.16 61.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 58.8 t -91.26 -0.61 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.004 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 89.99 14.34 59.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . 0.447 ' CD2' ' CE2' ' A' ' 993' ' ' PHE . 3.3 t80 -60.76 -43.01 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.639 0.257 . . . . 1.0 111.005 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.447 ' CE2' ' CD2' ' A' ' 992' ' ' PHE . 55.2 m-85 -97.5 -4.09 38.63 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.453 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.0 mttt -131.53 139.56 49.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.474 . . . . 1.0 111.226 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.545 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 78.6 mtp85 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.45 -0.468 0 CA-C-O 120.831 0.348 . . . . 1.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 45.7 pt -67.05 -22.65 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.25 -43.48 97.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.816 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.11 -44.21 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.13 -45.14 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.851 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.97 -43.93 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.891 -0.324 . . . . 1.0 110.502 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.53 -43.35 97.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.8 m -60.84 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.87 -46.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.911 -0.316 . . . . 1.0 110.888 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 96.9 mtp -63.26 -43.09 98.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.428 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.71 -42.45 93.21 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.832 -0.699 . . . . 1.0 111.669 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.42 92.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.68 -0.408 . . . . 1.0 111.26 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.52 -43.7 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.934 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.12 -43.58 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.86 -0.336 . . . . 1.0 110.898 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.388 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -64.1 -46.87 90.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.74 -43.04 97.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 111.229 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.5 97.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.789 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.8 -42.39 95.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.48 -0.488 . . . . 1.0 110.871 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.82 -42.17 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.045 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.0 -42.73 99.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.571 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.48 -43.99 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.328 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -63.66 -46.02 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.395 0.617 . . . . 1.0 109.91 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.02 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 1.0 109.768 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.019 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.38 -42.79 99.69 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.042 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.36 -44.14 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.06 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.9 m -58.78 -43.33 90.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.184 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.74 -44.43 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.978 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -65.69 -39.72 91.58 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.755 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.545 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 91.8 m-20 . . . . . 0 C--N 1.327 -0.393 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -59.83 -39.2 84.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.16 -40.44 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.03 -44.24 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.48 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.11 -41.49 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.301 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.46 -45.1 99.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.479 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.24 99.78 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.189 -0.764 . . . . 1.0 111.189 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 49.4 t -63.55 -44.49 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.0 110.551 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.4 -41.21 98.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 1.0 110.674 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.67 93.57 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.06 -42.88 99.75 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.35 -40.32 96.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.987 0.422 . . . . 1.0 109.981 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.8 -41.83 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.25 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.6 tt -61.36 -45.06 95.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 1.0 110.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.8 tp -64.49 -41.68 96.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.616 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 87.5 m -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.68 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 44.0 pt -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.202 -0.599 . . . . 1.0 111.544 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.79 -41.5 99.29 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.01 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 70.3 t -62.64 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.51 -41.96 99.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.182 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.2 -41.11 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.346 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.6 t90 -61.36 -40.7 95.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.248 0.546 . . . . 1.0 109.818 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -11.69 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.208 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.5 t -89.49 -16.02 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.89 0.376 . . . . 1.0 110.213 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.64 10.6 72.82 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.23 -42.73 99.11 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.549 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.469 ' CE1' ' CE2' ' B' ' 715' ' ' TRP . 67.5 m-85 -87.45 -2.69 58.79 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.747 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.64 141.43 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.291 -0.563 . . . . 1.0 109.869 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.531 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 18.3 mmm180 . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.635 0.255 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.3 tt -65.27 -39.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.19 -41.09 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 1.0 110.323 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.72 -42.64 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.35 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.0 -44.53 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.75 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.65 -43.65 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.561 -0.456 . . . . 1.0 109.977 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.46 -41.46 98.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.881 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.9 m -60.42 -42.55 96.25 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.019 -0.273 . . . . 1.0 111.176 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.56 -45.33 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.933 0.397 . . . . 1.0 110.074 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -62.35 -40.12 95.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.803 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -39.89 98.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 1.0 111.439 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.3 96.65 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.091 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.96 -43.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 1.0 111.063 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.773 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.54 -42.62 99.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.096 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -43.59 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.12 92.8 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.741 -0.742 . . . . 1.0 111.335 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.31 -39.24 93.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.362 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.04 99.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.865 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.67 94.64 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.734 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.65 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.469 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.15 -44.02 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.266 0.555 . . . . 1.0 109.529 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -44.75 92.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.78 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 97.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.738 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.63 -45.31 93.43 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.84 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.5 tt -68.67 -37.43 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.754 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.4 m -60.66 -42.1 96.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.164 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.68 -43.37 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.131 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -64.89 -37.69 88.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.686 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.531 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 68.1 m-20 . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 120.258 -0.577 . . . . 1.0 109.665 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.725 0.298 . . . . 1.0 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -58.96 -39.35 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.45 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -61.14 -39.16 89.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.481 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.76 -43.94 98.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.381 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.75 -41.92 98.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.84 -44.99 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.431 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.05 94.15 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.92 -44.7 99.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 1.0 110.453 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.64 -41.88 99.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.38 -39.61 97.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.746 -0.942 . . . . 1.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -64.2 -39.08 96.77 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.93 -40.51 97.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.981 0.419 . . . . 1.0 109.971 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.16 -41.51 98.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.5 tt -61.25 -44.39 97.33 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.341 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.53 -41.93 98.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.162 0.506 . . . . 1.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 76.0 m -61.94 -43.84 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.702 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 982' ' ' ILE . 92.2 mt -62.65 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.663 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.62 -41.35 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.534 -0.466 . . . . 1.0 111.157 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.85 -47.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.707 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.71 -41.44 98.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.71 96.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.371 -0.532 . . . . 1.0 110.65 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.79 -40.34 91.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 1.0 110.122 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.44 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.0 t90 -62.81 -41.59 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.199 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -12.08 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.195 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.4 t -89.54 -18.24 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.84 11.21 81.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.84 -42.14 98.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.685 0.278 . . . . 1.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.52 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.7 m-85 -96.02 -0.51 50.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.895 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -111.13 129.89 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 1.0 110.466 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.554 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.3 mtt180 . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.847 0.356 . . . . 1.0 110.443 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 21.3 tt -64.72 -24.39 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.929 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.91 -42.12 98.72 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -64.01 -44.05 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.727 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.41 -44.5 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.15 -42.52 99.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.599 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.46 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.0 m -61.51 -45.8 92.67 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.518 0.562 . . . . 1.0 112.518 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.252 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -63.24 -40.04 96.32 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.06 0.457 . . . . 1.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.86 -38.13 95.67 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.79 96.16 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.79 -43.34 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.403 0.62 . . . . 1.0 110.471 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.76 -39.84 93.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.542 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.23 -42.89 99.39 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.27 -42.31 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-O 122.187 0.994 . . . . 1.0 109.424 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.16 97.92 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.031 -1.628 . . . . 1.0 109.031 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.45 -42.67 98.65 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.461 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.24 93.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.69 94.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.3 -42.75 99.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.888 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.629 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.52 -43.89 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.52 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -62.39 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.806 0.812 . . . . 1.0 108.935 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -61.02 -39.93 91.66 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.364 -0.835 . . . . 1.0 109.697 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.14 -42.41 99.47 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.015 -0.674 . . . . 1.0 111.042 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.01 -45.15 94.87 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.965 0.412 . . . . 1.0 111.834 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.5 -35.95 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.604 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 720' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 716' ' ' LYS . 17.0 m -60.43 -44.82 95.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.562 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.72 99.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 120.051 -0.66 . . . . 1.0 110.241 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -67.29 -39.17 85.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.655 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.554 ' CG ' HH12 ' A' ' 995' ' ' ARG . 66.1 t0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.11 0.481 . . . . 1.0 110.569 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.68 0.276 . . . . 1.0 111.723 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -58.07 -38.34 76.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.45 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -60.5 -37.99 82.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.819 -0.353 . . . . 1.0 111.007 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.64 -45.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.3 mp -62.65 -41.05 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.391 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.86 -45.47 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.207 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.91 -38.36 95.98 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.579 -1.008 . . . . 1.0 110.579 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.17 -44.49 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 1.0 110.446 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.13 -42.87 99.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.28 -34.63 90.47 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.964 -1.254 . . . . 1.0 109.964 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.31 -37.21 94.5 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.41 -41.04 98.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.84 -40.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.265 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.03 -45.11 96.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.638 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.53 -42.49 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.394 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.2 m -63.22 -45.54 91.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.67 -0.696 . . . . 1.0 111.178 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.36 -44.3 98.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 120.912 -0.315 . . . . 1.0 111.033 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.04 -43.44 98.68 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.312 0.577 . . . . 1.0 110.457 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 63.1 t -64.81 -41.01 91.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.184 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.02 -43.16 99.43 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.48 -0.888 . . . . 1.0 111.298 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.75 90.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.231 -0.588 . . . . 1.0 110.363 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.53 -41.22 93.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.806 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.0 t90 -60.8 -39.28 88.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.78 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -11.71 41.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.119 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -89.05 -20.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.381 -0.528 . . . . 1.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.64 2.07 87.58 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.01 -42.52 99.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 1.0 111.383 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -91.26 -3.56 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.394 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -111.37 125.67 54.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.903 0.383 . . . . 1.0 110.0 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.502 HH12 ' CG ' ' B' ' 723' ' ' ASP . 95.0 mtt180 . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.824 0.345 . . . . 1.0 110.242 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.75 -26.03 39.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.004 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.96 -41.04 97.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.059 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.88 -44.53 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.71 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.609 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -41.85 99.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.689 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.33 -42.19 98.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.091 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 59.2 m -60.8 -42.01 96.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.61 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.97 -41.46 99.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.89 -41.02 98.89 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.332 -0.707 . . . . 1.0 111.332 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.624 0.25 . . . . 1.0 111.336 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.42 -44.24 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.02 -41.64 99.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.65 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.227 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.29 -43.98 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.202 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.55 -42.51 98.85 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.492 -1.043 . . . . 1.0 110.492 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.7 -42.16 98.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 1.0 110.702 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.45 93.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.115 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.43 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.258 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.72 -41.32 98.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.27 -42.44 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.26 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.22 -43.81 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.244 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -62.17 -45.13 94.78 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.689 0.757 . . . . 1.0 109.302 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -38.86 92.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.69 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.69 -41.57 97.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.42 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.06 -44.13 97.35 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.683 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.25 -41.82 92.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.306 0 CA-C-O 122.4 1.095 . . . . 1.0 110.797 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 35.8 m -60.81 -44.88 96.29 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.894 -1.048 . . . . 1.0 111.774 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 38.6 pt -63.88 -42.41 95.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.095 -1.042 . . . . 1.0 111.089 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -67.11 -38.25 85.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.464 -0.894 . . . . 1.0 111.097 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.502 ' CG ' HH12 ' A' ' 995' ' ' ARG . 54.2 m-20 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.005 0.431 . . . . 1.0 111.095 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -58.31 -38.93 78.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.871 -0.731 . . . . 1.0 110.259 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -61.05 -38.74 87.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.02 0.438 . . . . 1.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.69 -43.78 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.702 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.936 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.85 -41.21 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.406 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.0 -38.67 96.36 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.41 -45.29 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 1.0 110.4 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.28 -42.6 99.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.297 -0.41 . . . . 1.0 109.962 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.52 76.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.2 -36.34 90.44 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 11.3 mp -61.71 -38.65 88.65 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.134 0.493 . . . . 1.0 109.867 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.84 -39.13 90.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.81 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.87 -45.91 92.69 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.174 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.0 tp -65.07 -41.7 94.82 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.927 -0.709 . . . . 1.0 109.854 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.9 m -61.57 -44.5 96.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.908 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -43.73 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.471 -0.492 . . . . 1.0 110.982 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.329 -0.548 . . . . 1.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 62.8 t -64.23 -44.12 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.866 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.16 -42.54 99.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.329 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.83 99.75 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.725 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.76 -41.29 92.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.0 0.428 . . . . 1.0 110.741 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -62.32 -39.8 94.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.445 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -11.79 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.069 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.28 -19.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.516 -0.474 . . . . 1.0 110.138 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 81.53 6.32 89.26 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.362 -1.095 . . . . 1.0 110.362 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.64 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.823 0.344 . . . . 1.0 110.746 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.429 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 74.2 m-85 -95.58 0.65 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.169 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -88.07 130.99 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.209 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.504 HH22 ' CG ' ' B' ' 723' ' ' ASP . 28.2 mmt85 . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.524 0.194 . . . . 1.0 111.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.02 -40.36 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.028 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.54 -42.15 99.35 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.98 -44.83 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.125 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.6 -44.44 98.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.482 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.043 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -40.57 96.67 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.592 0.71 . . . . 1.0 109.791 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.7 m -62.94 -39.87 95.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.223 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.95 -45.31 99.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.27 -40.7 98.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.38 96.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.17 95.22 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.16 -41.7 97.05 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.751 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.68 -44.11 97.08 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.809 -178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 21.4 tt -70.31 -39.95 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.851 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.25 99.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.25 -40.74 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 1.0 110.643 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.19 90.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.603 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.06 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.13 -42.09 99.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.332 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.05 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.83 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.42 -43.81 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 1.0 109.994 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.429 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 2.1 t90 -61.8 -45.02 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.784 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.68 -42.87 97.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.313 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.98 -45.1 94.03 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.435 ' CG1' ' NH2' ' A' ' 995' ' ' ARG . 21.0 tt -69.4 -38.5 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 96.2 m -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.396 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.41 -43.75 98.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 1.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -63.97 -38.8 92.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.712 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.504 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.0 m-20 . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.365 0.602 . . . . 1.0 109.94 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.4 pt . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 111.92 0.341 . . . . 1.0 111.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -62.15 -38.48 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.376 -0.53 . . . . 1.0 111.482 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.61 -47.62 84.61 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.354 0.501 . . . . 1.0 112.354 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.43 -35.84 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.036 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.15 -43.76 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.088 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.14 98.56 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.143 -0.551 . . . . 1.0 112.539 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 16.8 m -65.12 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.589 0.694 . . . . 1.0 110.387 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.85 -41.44 99.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.22 -26.54 67.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -59.25 -40.65 96.13 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.54 -42.41 99.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.707 -0.397 . . . . 1.0 109.997 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.19 -41.39 99.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.795 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.61 -42.19 99.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.813 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 45.9 tp -66.38 -39.99 89.43 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.184 1.468 . . . . 1.0 109.291 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 49.2 m -64.52 -44.22 91.55 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.269 -0.973 . . . . 1.0 111.552 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.14 -45.0 99.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.26 -41.59 99.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.284 0.564 . . . . 1.0 110.111 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.36 -43.45 97.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.727 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.43 -43.64 98.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.911 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.64 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.7 -39.89 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 1.0 110.911 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.461 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.5 t90 -60.53 -39.7 88.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.336 0.588 . . . . 1.0 109.964 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -12.31 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.969 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 79.9 t -91.16 -12.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 12.47 69.73 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.23 -42.79 99.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.441 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -87.86 -3.48 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.501 -0.479 . . . . 1.0 111.122 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -102.13 123.92 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.541 HH12 ' CG ' ' B' ' 723' ' ' ASP . 76.1 ttt180 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.061 0.458 . . . . 1.0 110.709 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.27 -26.65 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.553 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.52 -44.16 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.052 0.453 . . . . 1.0 110.024 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.77 -44.45 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.23 -43.58 98.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.15 -42.3 96.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.618 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.3 m -60.89 -44.76 96.68 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.65 -37.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.56 -0.456 . . . . 1.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.63 -40.87 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.613 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.27 97.41 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.73 92.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.728 0.299 . . . . 1.0 111.054 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . 0.408 HD12 HG22 ' B' ' 704' ' ' ILE . 89.8 mt -63.39 -43.48 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.117 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.272 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.25 -42.1 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.48 -43.63 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.11 99.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.88 -41.81 99.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 1.0 110.32 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.914 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 110.687 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.39 -40.91 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.096 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.48 -41.74 99.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.247 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.22 -44.0 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.46 -41.95 86.33 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.987 0.898 . . . . 1.0 109.152 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.458 ' CE ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -61.01 -41.53 96.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.09 -39.86 93.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.599 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.22 -40.83 95.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 119.909 -0.716 . . . . 1.0 110.698 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.55 -42.77 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.389 0.614 . . . . 1.0 109.619 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 720' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' B' ' 716' ' ' LYS . 14.2 m -62.09 -43.44 98.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.592 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.9 -45.47 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.885 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -62.66 -38.65 91.16 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.047 0.451 . . . . 1.0 110.76 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.541 ' CG ' HH12 ' A' ' 995' ' ' ARG . 52.4 m-20 . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 120.346 -0.541 . . . . 1.0 109.592 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.4 pt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 111.482 0.179 . . . . 1.0 111.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -58.05 -38.08 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -62.03 -38.26 88.01 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.489 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.63 -44.63 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -40.61 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.144 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.63 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.2 93.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.61 -44.43 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 1.0 110.267 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -41.74 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.875 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.25 -37.41 94.83 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.117 -1.193 . . . . 1.0 110.117 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.04 -37.75 95.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.54 -41.81 99.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.51 -40.11 95.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.384 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.15 -44.14 97.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.586 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.01 -42.43 97.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.551 . . . . 1.0 110.002 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 89.0 m -62.56 -45.19 94.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.539 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.22 -44.24 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.313 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.4 -42.56 98.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.123 0.487 . . . . 1.0 109.988 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.2 -43.99 97.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.674 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.23 -42.79 99.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.353 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.26 99.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.181 -0.608 . . . . 1.0 110.851 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 96.8 mmm -64.65 -42.47 95.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.328 0.585 . . . . 1.0 110.608 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -63.68 -41.15 98.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 1.0 111.079 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -12.58 60.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.957 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 36.0 t -89.4 -19.13 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.717 -0.475 . . . . 1.0 109.717 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.17 12.12 81.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 110.287 -1.125 . . . . 1.0 110.287 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -42.34 99.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.657 -1.238 . . . . 1.0 107.657 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -86.04 -3.34 58.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.677 -0.692 . . . . 1.0 111.614 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.68 124.37 34.54 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.448 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.548 HH22 ' CG ' ' B' ' 723' ' ' ASP . 80.1 mtp85 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 . . . . . 0 C--O 1.228 -0.064 0 CA-C-O 120.831 0.348 . . . . 1.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.9 tt -65.54 -38.89 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.64 -43.01 99.65 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.111 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.5 -44.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.12 -44.25 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.657 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.97 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.26 -42.47 99.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 63.8 m -61.3 -44.53 97.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' B' ' 701' ' ' MET . 1.5 m -65.77 -41.97 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.735 -0.786 . . . . 1.0 110.12 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' B' ' 700' ' ' VAL . 94.1 mtp -63.49 -40.97 98.5 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.66 -41.35 99.07 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.218 -0.753 . . . . 1.0 111.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.6 94.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.314 0.578 . . . . 1.0 110.686 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.257 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.73 -41.34 97.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.729 -0.471 . . . . 1.0 109.729 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.01 -43.59 98.34 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.48 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.56 -46.08 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.726 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.36 98.88 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.127 -1.035 . . . . 1.0 110.978 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.72 -42.63 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.489 . . . . 1.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.04 95.52 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.738 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.99 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.549 -0.461 . . . . 1.0 110.816 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.68 -41.79 98.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.513 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.92 -42.41 99.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.44 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.38 -43.77 96.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.418 0.627 . . . . 1.0 109.332 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.51 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 1.0 109.693 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.12 -41.11 97.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.732 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.76 -36.39 83.73 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 122.134 0.969 . . . . 1.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' B' ' 723' ' ' ASP . 75.8 mt -69.52 -43.18 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.33 -1.348 . . . . 1.0 111.227 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -64.3 -48.14 76.79 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.4 mm -65.44 -48.43 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 119.42 -0.912 . . . . 1.0 111.576 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.9 -42.66 80.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.548 ' CG ' HH22 ' A' ' 995' ' ' ARG . 65.5 t0 . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.76 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 21.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.909 0.385 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -57.46 -36.32 71.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -56.92 -40.28 76.04 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.379 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 50.5 t -66.49 -42.73 90.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.38 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.44 -42.62 99.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.824 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.1 m -64.18 -41.24 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.177 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.61 96.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.63 -44.72 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.96 0.409 . . . . 1.0 110.252 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.17 -42.59 99.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.51 94.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.4 94.69 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.89 -40.92 99.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.572 . . . . 1.0 109.499 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.915 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.15 -45.29 95.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.95 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.96 -42.34 94.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 1.0 110.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.8 m -62.19 -45.68 92.29 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.767 -0.652 . . . . 1.0 112.639 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 42.3 pt -65.3 -41.59 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.215 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.42 -42.54 99.52 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.206 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.59 -44.0 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.408 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.44 -42.69 99.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.449 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.56 98.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.014 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.4 mmm -65.66 -40.63 92.63 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -64.26 -39.74 94.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.495 0.664 . . . . 1.0 110.464 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -13.42 62.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.219 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 83.9 t -87.16 -15.34 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.054 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.61 71.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 3.5 t80 -61.5 -42.66 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 1.0 111.52 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.481 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 62.4 m-85 -96.31 4.61 52.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.475 -0.49 . . . . 1.0 111.549 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.38 125.5 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.857 -0.423 . . . . 1.0 109.857 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.53 HH22 ' CG ' ' B' ' 723' ' ' ASP . 41.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.986 0.422 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.52 -43.21 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.985 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.91 -42.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.771 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.45 -44.08 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.418 -0.81 . . . . 1.0 110.773 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.33 -43.42 98.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.779 -0.369 . . . . 1.0 110.076 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.2 -42.28 99.28 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 60.7 m -60.74 -41.92 96.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.578 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.01 -46.67 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -63.95 -41.14 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.53 -41.59 94.08 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.187 -0.53 . . . . 1.0 111.807 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.45 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.24 -39.6 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.82 -42.26 99.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 1.0 110.367 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.49 -42.77 99.72 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.71 -43.85 98.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.101 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.11 99.73 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.378 -1.089 . . . . 1.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.24 -42.43 99.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 1.0 110.407 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.06 85.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.26 89.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.903 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.22 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.391 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.623 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.3 -43.92 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.481 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.4 -44.2 97.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.141 -0.689 . . . . 1.0 109.141 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.97 85.58 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.07 0.938 . . . . 1.0 109.406 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.74 -43.21 94.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.921 -1.112 . . . . 1.0 110.753 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.4 -43.21 98.17 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 112.723 0.638 . . . . 1.0 112.723 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.36 -38.75 77.91 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 119.015 -1.074 . . . . 1.0 109.646 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.4 m -60.64 -42.51 97.09 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.23 0.538 . . . . 1.0 111.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . 0.421 HD13 HG23 ' B' ' 721' ' ' ILE . 97.3 mt -62.21 -42.29 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.837 -0.539 . . . . 1.0 110.631 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -67.6 -37.69 82.91 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.562 -0.711 . . . . 1.0 110.164 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.53 ' CG ' HH22 ' A' ' 995' ' ' ARG . 55.2 m-20 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 120.626 -0.429 . . . . 1.0 111.507 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.4 pt . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 121.093 0.473 . . . . 1.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.71 -38.58 85.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.657 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -60.45 -46.96 88.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.51 -33.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.395 -0.522 . . . . 1.0 111.009 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.43 -43.88 97.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.385 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 18.9 m -65.54 -40.14 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.2 -40.31 98.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.49 -44.52 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 1.0 110.264 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.43 -41.82 98.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.376 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.51 -40.58 98.89 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.31 -0.716 . . . . 1.0 111.31 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.47 99.67 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.466 -1.054 . . . . 1.0 110.466 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.69 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.295 0.569 . . . . 1.0 110.096 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.44 -41.1 98.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.725 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.7 tt -61.06 -44.84 96.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.801 -0.36 . . . . 1.0 110.678 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.18 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.086 0.469 . . . . 1.0 110.131 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.51 -44.64 95.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.605 -0.725 . . . . 1.0 112.325 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.09 -44.5 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.791 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.16 -41.86 99.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.413 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 69.9 t -63.9 -44.38 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.36 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.457 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.28 96.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.485 -0.486 . . . . 1.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 66.7 mtt -65.96 -40.56 91.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 1.0 110.532 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.447 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.3 t90 -62.12 -39.57 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.398 0.618 . . . . 1.0 109.865 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -35.48 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.683 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 48.5 t -86.49 -4.37 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.611 -0.435 . . . . 1.0 111.129 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.81 7.57 88.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.18 -41.56 98.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.937 0.399 . . . . 1.0 110.646 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 3.9 m-30 -87.27 -4.95 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.63 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 991' ' ' GLY . 75.5 mmtt -126.95 125.76 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.533 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 62.5 ttp180 . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.151 -0.685 . . . . 1.0 109.151 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' B' ' 694' ' ' LEU . 20.7 tt -65.34 -38.75 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.021 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 693' ' ' ILE . 54.7 tp -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.337 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.624 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.83 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.598 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.23 -45.66 92.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.279 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.99 -41.79 95.1 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.188 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 78.1 p -62.08 -44.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.412 0.523 . . . . 1.0 112.412 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.7 -40.67 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 119.901 -0.72 . . . . 1.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.87 -41.15 97.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.303 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.66 96.5 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.63 99.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.961 0.41 . . . . 1.0 110.632 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.714 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.23 -41.37 97.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.453 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.99 -42.03 99.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 46.4 pt -68.35 -40.32 82.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.02 99.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.24 -42.79 99.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 1.0 110.38 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.22 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.34 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.71 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.252 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -44.17 97.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.43 -41.42 98.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.019 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.2 -44.25 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.319 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.428 ' CE3' ' CE2' ' A' ' 993' ' ' PHE . 2.0 t90 -62.03 -44.53 96.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.174 -0.676 . . . . 1.0 109.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -39.12 91.34 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.287 0.565 . . . . 1.0 109.753 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.47 -40.01 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.834 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.77 -42.8 98.22 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.745 0.307 . . . . 1.0 110.215 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.65 -42.7 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.987 0.422 . . . . 1.0 110.408 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.0 m -61.09 -39.39 89.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -43.06 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.618 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -64.46 -41.5 96.49 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.252 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.533 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 55.1 m-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.708 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 111.723 0.268 . . . . 1.0 111.723 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -58.48 -39.97 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.09 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -63.4 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.59 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.88 -44.34 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.195 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -41.73 98.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.033 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.82 -44.92 99.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.32 -39.77 97.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.28 -44.27 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.961 0.41 . . . . 1.0 110.111 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -42.6 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.919 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.18 -34.14 89.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.09 -34.69 89.84 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.478 -1.049 . . . . 1.0 110.478 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.9 -40.49 95.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 1.0 110.156 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.15 -39.72 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.27 -43.85 98.2 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.971 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.71 -39.84 94.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.774 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 96.6 m -62.06 -44.82 95.85 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.267 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 982' ' ' ILE . 96.7 mt -63.26 -44.63 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.503 -0.479 . . . . 1.0 111.091 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.05 -41.62 97.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.744 0.307 . . . . 1.0 110.346 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.59 -44.54 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.895 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.4 -42.72 99.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.086 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.2 96.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.409 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 91.1 mmm -64.87 -41.62 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.313 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -63.04 -39.45 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.042 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.79 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.419 -0.809 . . . . 1.0 110.677 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -86.6 -17.34 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.133 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.43 9.72 84.49 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.549 -1.021 . . . . 1.0 110.549 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.765 0.793 . . . . 1.0 108.868 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -88.66 -3.09 58.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.043 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -113.95 125.02 53.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.541 HH12 ' CG ' ' B' ' 723' ' ' ASP . 10.6 tpp85 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 108.616 -0.883 . . . . 1.0 108.616 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.784 0.326 . . . . 1.0 110.282 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.74 -43.29 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.64 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.32 -41.49 98.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.97 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.36 -40.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.87 -43.64 98.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.117 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.24 -43.35 98.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 1.0 110.024 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.4 m -60.96 -42.05 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.54 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.62 -45.04 99.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.051 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.2 mtp -62.73 -41.1 99.01 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.259 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.98 97.36 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.58 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.27 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 44.4 mm -64.01 -41.98 94.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 111.518 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.75 -42.67 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.003 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.89 -41.52 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.115 0.484 . . . . 1.0 109.855 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.25 -43.13 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.794 0.806 . . . . 1.0 111.007 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.03 -42.04 99.65 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.032 -0.986 . . . . 1.0 111.382 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.31 -41.78 98.97 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.702 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.26 94.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.726 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.81 95.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 1.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.23 -41.42 99.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.274 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.14 -43.67 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.329 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.44 -45.8 92.35 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.184 -0.672 . . . . 1.0 109.184 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -40.54 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.585 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -42.29 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.445 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.85 -41.75 99.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.13 0.491 . . . . 1.0 110.394 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 119.751 -0.779 . . . . 1.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -63.7 -48.5 76.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 35.1 mm -63.57 -47.32 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.453 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -68.07 -43.06 79.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.892 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.541 ' CG ' HH12 ' A' ' 995' ' ' ARG . 64.7 t0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 1.0 110.439 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.817 0.341 . . . . 1.0 111.803 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.26 -36.98 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.527 -177.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -58.51 -43.62 89.17 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.374 -0.531 . . . . 1.0 110.51 -179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.01 -43.27 96.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.082 0.468 . . . . 1.0 110.382 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.06 -41.14 97.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.8 -45.18 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.339 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.64 92.26 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.91 -44.77 99.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.484 0.183 . . . . 1.0 111.301 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.37 -40.98 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.6 -41.51 99.59 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.512 -1.035 . . . . 1.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -64.66 -38.22 95.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 1.0 110.267 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.19 -41.04 97.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.373 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.66 -44.29 97.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.864 -0.334 . . . . 1.0 111.135 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.82 -42.17 97.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.905 0.383 . . . . 1.0 110.358 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 91.9 m -62.31 -45.25 94.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.139 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.5 -43.75 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.863 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.51 -43.25 99.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 1.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.82 -44.59 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.627 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.4 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.106 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.86 98.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.586 -0.446 . . . . 1.0 111.106 -179.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.6 mtp -65.8 -39.99 91.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.217 0.532 . . . . 1.0 110.519 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.453 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.7 t90 -65.41 -40.37 93.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.423 0.63 . . . . 1.0 110.217 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -11.16 60.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.466 -179.149 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.3 t -88.26 -16.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.055 0.455 . . . . 1.0 110.109 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 991' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 84.27 10.59 79.92 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 992' ' ' PHE . . . . . 0.439 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 3.9 t80 -61.22 -42.75 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.984 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 67.2 m-85 -86.93 -2.15 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 994' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.6 tttt -114.73 130.92 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.9 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.571 HH12 ' CD1' ' B' ' 719' ' ' ILE . 94.6 mtm-85 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.85 -0.796 . . . . 1.0 108.85 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 21.1 tt -65.71 -39.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.019 0.437 . . . . 1.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.61 -42.83 99.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.462 -178.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.37 -46.98 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.797 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 23.1 m -66.25 -39.95 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.047 -0.261 . . . . 1.0 110.95 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.56 -43.33 99.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.19 -41.03 97.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.599 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -44.01 97.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 112.054 -178.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.5 m -65.86 -41.05 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 119.666 -0.814 . . . . 1.0 110.487 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -63.41 -40.51 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 -179.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.82 -34.22 86.58 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 111.699 -0.56 . . . . 1.0 111.699 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.67 98.31 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.771 -0.772 . . . . 1.0 109.524 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.99 -43.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.454 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.47 -43.57 96.79 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.621 -0.832 . . . . 1.0 110.79 -178.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.84 -39.15 93.54 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.621 0.724 . . . . 1.0 110.158 179.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 86.8 mt -66.79 -43.54 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.877 0.846 . . . . 1.0 111.608 179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.88 -44.36 97.55 Favored Glycine 0 N--CA 1.474 1.214 0 N-CA-C 109.806 -1.317 . . . . 1.0 109.806 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.77 -42.86 97.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.481 . . . . 1.0 110.1 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.9 95.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.035 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.44 94.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.591 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' B' ' 712' ' ' LEU . 7.7 tt -62.63 -43.34 99.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.466 -0.333 . . . . 1.0 110.316 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.86 -42.95 99.95 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.662 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.63 -43.85 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.597 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.1 -44.95 96.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.486 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.1 OUTLIER -60.55 -46.66 89.38 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.203 -1.036 . . . . 1.0 108.203 179.831 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.89 -40.71 97.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.397 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.08 -44.27 97.04 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.616 0.599 . . . . 1.0 112.616 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.571 ' CD1' HH12 ' A' ' 995' ' ' ARG . 13.8 tt -68.27 -42.56 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 118.78 -1.168 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 720' ' ' THR . . . . . 0.486 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 19.7 m -65.17 -48.7 72.56 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 -179.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.58 -45.14 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . 0.5 ' CE1' ' OD1' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.87 -41.4 82.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.899 179.65 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.55 ' OD2' ' NH1' ' A' ' 995' ' ' ARG . 51.3 m-20 . . . . . 0 C--N 1.329 -0.298 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.383 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.592 -1.403 . . . . 13.109999999999999 109.592 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 959' ' ' LEU . . . -110.35 24.85 12.46 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.914 -0.168 . . . . 11.94 110.994 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 961' ' ' GLU . 1.5 mm? 36.5 -113.57 0.09 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.71 0.291 . . . . 11.26 110.661 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -33.35 91.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.826 -0.625 . . . . 9.3900000000000006 111.349 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 959' ' ' LEU . 1.2 mt-10 177.48 174.85 0.47 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.216 1.008 . . . . 8.4100000000000001 113.561 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 961' ' ' GLU . 82.0 mtm-85 38.3 -175.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 113.124 -1.853 . . . . 8.9900000000000002 113.614 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -101.32 121.6 42.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.981 -1.009 . . . . 4.1799999999999997 112.557 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.5 ' C ' ' H ' ' A' ' 966' ' ' ILE . 2.2 pt -105.62 89.67 3.59 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 107.213 -1.403 . . . . 6.5899999999999999 107.213 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -51.45 -0.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.566 1.511 . . . . 3.1800000000000002 113.837 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.5 ' H ' ' C ' ' A' ' 964' ' ' ILE . 96.1 mt -62.55 -43.67 98.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.331 -0.948 . . . . 3.0099999999999998 111.319 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -67.61 -48.86 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.383 -0.927 . . . . 2.0099999999999998 110.345 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -61.82 -37.76 85.64 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.131 -0.94 . . . . 1.52 110.626 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 37.4 t -62.38 -43.77 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.085 -0.709 . . . . 1.99 109.085 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.98 -40.73 96.62 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.869 -0.789 . . . . 2.5699999999999998 108.869 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.59 -46.48 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.494 -0.558 . . . . 2.0 109.494 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.5 97.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.347 -1.101 . . . . 0.69999999999999996 110.347 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.72 -44.74 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.907 -0.405 . . . . 1.48 109.907 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.12 -44.07 97.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.028 0.442 . . . . 2.5299999999999998 110.218 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.51 96.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.828 -0.909 . . . . 0.93999999999999995 110.828 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.57 96.72 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.503 -1.039 . . . . 0.78000000000000003 110.503 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.24 -40.79 97.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.171 -0.677 . . . . 2.6000000000000001 109.171 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 7.9 tp -62.46 -40.7 97.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.158 -0.928 . . . . 2.4300000000000002 110.622 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.956 -0.565 . . . . 2.3700000000000001 110.484 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.5900000000000001 110.627 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.5 m -61.4 -42.3 98.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 1.2 110.723 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.14 -44.51 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.917 -0.313 . . . . 1.77 111.481 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.65 -42.62 98.08 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.251 -0.58 . . . . 2.3500000000000001 110.602 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 1.3 110.275 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.57 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.839 -0.619 . . . . 2.2999999999999998 110.795 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.89 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.516 -0.311 . . . . 1.23 111.616 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 41.4 mtt -66.5 -39.25 88.6 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.639 -0.425 . . . . 2.5 110.721 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.435 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.8 t90 -59.36 -38.49 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.611 -0.436 . . . . 1.49 109.923 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -13.59 62.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.123 -0.49 . . . . 1.8600000000000001 110.61 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 72.6 t -91.59 -12.84 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.921 -0.4 . . . . 1.8 109.921 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.35 86.3 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.822 -1.311 . . . . 0.88 109.822 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.44 -39.85 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.201 -0.499 . . . . 2.8599999999999999 110.743 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -92.47 -3.59 54.93 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.183 -0.462 . . . . 3.2799999999999998 109.958 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.68 128.06 49.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.894 -0.593 . . . . 3.96 110.108 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -137.65 147.94 45.35 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.661 -0.496 . . . . 2.73 109.661 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -88.61 112.72 23.39 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.514 -0.551 . . . . 3.4199999999999999 109.514 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.31 160.7 33.23 Favored Pre-proline 0 N--CA 1.475 0.777 0 CA-C-N 115.777 -0.647 . . . . 4.4199999999999999 110.192 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 N--CA 1.495 1.563 0 C-N-CA 122.689 2.26 . . . . 3.7599999999999998 111.853 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . 0.646 ' O ' ' N ' ' B' ' 687' ' ' SER . 4.4 Cg_exo . . . . . 0 N--CA 1.483 0.88 0 N-CA-C 107.836 -1.64 . . . . 16.100000000000001 107.836 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 687' ' ' SER . 41.1 tp10 -50.66 82.91 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.46 -0.496 . . . . 14.609999999999999 109.693 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 687' ' ' SER . . . . . 0.646 ' N ' ' O ' ' B' ' 685' ' ' PRO . 73.0 m 126.68 57.94 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.372 0 O-C-N 124.998 1.436 . . . . 11.91 110.558 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . 0.614 ' HD3' ' H ' ' B' ' 687' ' ' SER . 32.3 Cg_exo -56.65 -33.78 94.2 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 N-CA-C 106.336 -2.217 . . . . 11.050000000000001 106.336 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.405 ' H ' ' H ' ' B' ' 690' ' ' GLY . 0.1 OUTLIER -139.48 -28.79 0.76 Allowed 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 111.378 -2.646 . . . . 11.15 105.407 177.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' B' ' 692' ' ' ASP . . . 41.84 -104.13 0.04 OUTLIER Glycine 0 CA--C 1.527 0.795 0 CA-C-N 113.727 -1.579 . . . . 6.3899999999999997 110.784 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' B' ' 693' ' ' ILE . 32.1 Cg_exo -56.35 64.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 CA-C-N 120.009 1.904 . . . . 5.79 113.825 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 690' ' ' GLY . 12.5 m-20 -62.59 -7.14 4.2 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.443 -1.688 . . . . 3.0 106.443 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.566 ' H ' ' C ' ' B' ' 691' ' ' PRO . 3.6 tt -57.57 -39.85 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 114.063 -1.426 . . . . 2.1000000000000001 107.575 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.91 -47.5 77.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.271 -0.64 . . . . 2.4500000000000002 109.271 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.23 -48.65 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 115.811 -0.631 . . . . 1.5900000000000001 110.689 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' B' ' 692' ' ' ASP . 53.7 t -65.7 -44.88 93.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.443 -0.799 . . . . 1.6699999999999999 110.407 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' B' ' 693' ' ' ILE . 59.0 tp -61.57 -43.8 98.2 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.31 -0.996 . . . . 1.8300000000000001 108.31 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 31.4 mt -62.92 -44.54 95.81 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.223 -0.658 . . . . 2.4399999999999999 109.223 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.5 m -63.98 -44.0 94.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.90000000000000002 109.971 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.28 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.41 -0.589 . . . . 2.2599999999999998 109.41 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.16 -42.07 99.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.741 -0.663 . . . . 1.53 110.479 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.59 -42.35 95.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.543 -0.623 . . . . 0.63 111.543 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.36 99.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 1.26 110.647 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.15 -42.14 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.164 -0.471 . . . . 2.29 110.753 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.99 -41.88 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 2.3999999999999999 109.313 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.386 -0.598 . . . . 2.5299999999999998 109.386 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.23 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.134 -0.485 . . . . 1.8700000000000001 110.177 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.9 -46.55 94.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.277 -1.129 . . . . 0.47999999999999998 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.61 -43.0 95.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.835 0.35 . . . . 1.95 110.898 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.65 98.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.39 . . . . 1.21 111.501 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.31 95.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.059 0.457 . . . . 1.21 110.206 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.72 -40.8 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.77 -0.65 . . . . 2.9100000000000001 109.552 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 33.1 tp -62.5 -41.75 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 2.3799999999999999 110.23 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 714' ' ' ILE . 94.4 mt -62.72 -43.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 1.76 110.155 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.52 -41.96 86.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.889 -0.782 . . . . 1.3799999999999999 108.889 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.71 95.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.331 -0.849 . . . . 1.78 109.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -40.66 94.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 2.5299999999999998 110.129 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.41 -43.86 98.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.637 -0.425 . . . . 2.54 110.486 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -41.48 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.185 -0.672 . . . . 1.99 109.185 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.5 m -59.07 -44.6 91.88 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.519 -0.472 . . . . 1.53 109.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.87 -46.65 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.198 -0.601 . . . . 2.3300000000000001 110.061 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -64.96 -42.38 94.64 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.68 -0.408 . . . . 2.6000000000000001 110.261 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.63 -38.69 87.43 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.094 0.473 . . . . 1.8600000000000001 110.086 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . 0.466 ' C ' ' H ' ' B' ' 726' ' ' GLU . 74.8 ttt-85 -70.65 -42.14 71.2 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.389 0.614 . . . . 5.8300000000000001 110.624 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -63.35 9.32 0.06 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.214 -0.903 . . . . 7.6900000000000004 112.018 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' B' ' 724' ' ' ARG . 80.8 mt-10 -56.69 -34.28 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.074 -1.016 . . . . 7.0999999999999996 109.895 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.983 -1.008 . . . . 10.02 109.444 179.105 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 1.0 109.535 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.32 143.17 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 1.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.29 130.79 55.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -118.55 132.42 56.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.75 138.48 58.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -129.47 146.82 51.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.607 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.85 151.65 35.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 7.5 mm 48.53 72.05 1.39 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.221 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -60.44 143.23 99.46 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.671 2.248 . . . . 1.0 112.703 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.3 mm -67.28 -23.36 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.213 -0.903 . . . . 1.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.12 -36.81 68.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.42 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -59.37 -38.72 81.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.76 -44.35 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.715 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.21 -40.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.222 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.61 -45.29 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.55 -38.84 96.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.41 -44.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.61 0.243 . . . . 1.0 110.707 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.2 -42.95 99.76 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.673 -0.411 . . . . 1.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.65 -40.38 98.54 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -64.15 -37.85 95.14 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.834 -0.907 . . . . 1.0 110.834 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.68 -41.09 98.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.23 -39.87 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.589 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.24 -44.29 97.5 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.819 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.68 -42.9 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.046 0.451 . . . . 1.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 98.5 m -63.28 -46.73 85.47 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.736 -0.665 . . . . 1.0 112.708 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.0 tt -67.25 -41.21 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.142 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.6 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.1 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.82 -43.01 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.314 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.7 98.24 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.593 -0.443 . . . . 1.0 111.109 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.2 mmm -65.89 -39.78 90.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.448 . . . . 1.0 110.688 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.496 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.2 t90 -64.5 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.379 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -12.49 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 110.593 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 78.2 t -87.19 -20.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.302 -0.559 . . . . 1.0 109.635 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.45 5.78 89.65 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.293 -1.123 . . . . 1.0 110.293 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 1.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 65.9 m-85 -89.24 -4.74 58.08 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.229 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -115.62 124.06 49.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.703 -0.481 . . . . 1.0 109.703 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.516 HH12 ' CG ' ' B' ' 723' ' ' ASP . 89.3 mtm180 -140.54 153.55 46.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -84.82 111.37 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.648 -0.821 . . . . 1.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.65 160.44 31.43 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 C--N 1.309 -1.541 0 C-N-CA 122.618 2.212 . . . . 1.0 112.141 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . 0.448 ' H2 ' ' H ' ' B' ' 686' ' ' GLU . 11.9 Cg_exo . . . . . 0 N--CA 1.484 0.918 0 N-CA-C 109.575 -0.971 . . . . 1.0 109.575 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . 0.448 ' H ' ' H2 ' ' B' ' 685' ' ' PRO . 97.4 mt-10 -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.584 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 52.2 p 51.87 72.5 1.18 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.56 145.36 97.84 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.937 2.425 . . . . 1.0 112.077 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.55 -43.99 97.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -123.6 81.78 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.38 -34.78 82.22 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.804 2.336 . . . . 1.0 112.621 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.07 -10.92 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' B' ' 694' ' ' LEU . 11.1 tp -65.43 -39.2 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.046 -0.353 . . . . 1.0 110.046 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' B' ' 693' ' ' ILE . 90.0 mt -62.69 -41.56 99.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.339 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.89 -44.72 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.94 -45.09 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.704 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -43.18 99.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.728 0.299 . . . . 1.0 110.532 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.67 -39.86 95.4 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.651 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.4 m -60.36 -42.34 95.57 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.444 0.64 . . . . 1.0 110.671 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.35 -45.81 92.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.19 -1.004 . . . . 1.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 97.2 mtp -63.46 -40.98 98.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.303 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.84 99.6 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.938 -0.649 . . . . 1.0 111.998 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.99 94.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 1.0 110.758 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.69 -42.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.55 -41.84 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.19 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 1.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.05 -43.85 97.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.384 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.03 99.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.268 -1.133 . . . . 1.0 110.268 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.05 -42.18 99.66 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.5 84.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.798 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.51 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.529 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.69 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.683 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.44 -40.37 96.97 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.315 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.7 -42.87 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 1.0 110.384 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.445 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.7 t90 -59.98 -37.93 81.07 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.432 0.634 . . . . 1.0 110.0 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -45.03 88.14 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.72 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.97 -40.11 95.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.33 -44.45 96.46 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.351 0.501 . . . . 1.0 112.351 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.41 -37.62 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.022 0.439 . . . . 1.0 110.726 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.6 m -61.43 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.11 -44.64 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.951 -0.699 . . . . 1.0 110.842 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -61.73 -42.1 98.52 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.694 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.516 ' CG ' HH12 ' A' ' 995' ' ' ARG . 40.9 m-20 -61.69 -42.46 98.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.142 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.01 -39.48 90.29 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.991 0.424 . . . . 1.0 110.718 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.55 -41.71 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.335 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 59.22 29.39 18.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.762 0.315 . . . . 1.0 110.533 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.547 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.594 -1.403 . . . . 1.0 109.594 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.47 143.09 56.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.8 mt -110.35 131.1 55.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.344 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.03 125.69 54.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -117.31 136.13 53.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -64.42 -39.54 94.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.676 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 964' ' ' ILE . . . -67.78 140.94 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.447 ' O ' ' CG1' ' A' ' 964' ' ' ILE . 1.1 tt 31.36 68.4 0.8 Allowed Pre-proline 0 CA--C 1.534 0.34 0 O-C-N 123.701 0.626 . . . . 1.0 111.194 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -60.73 143.62 99.42 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.412 2.075 . . . . 1.0 112.438 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.7 -25.5 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -57.27 -38.97 74.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.591 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.73 -41.66 97.93 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.111 -0.636 . . . . 1.0 110.722 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.21 -44.34 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.058 0.456 . . . . 1.0 110.109 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.4 -42.04 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.3 t -61.91 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.421 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.66 98.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.32 -44.74 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 1.0 110.428 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.27 -43.24 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.293 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -64.12 -34.9 91.16 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.47 -1.052 . . . . 1.0 110.47 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.03 88.74 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.97 -42.03 98.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 978' ' ' LEU . 4.1 mm? -62.49 -40.17 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.266 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 40.9 tp -60.95 -44.52 97.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.031 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.81 -42.15 97.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.0 110.127 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.3 m -62.86 -45.07 94.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.825 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.35 -43.54 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.11 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.38 -0.528 . . . . 1.0 109.963 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.47 -44.04 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.886 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.01 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.358 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.94 97.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 94.8 mtp -65.62 -40.45 92.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 1.0 110.7 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.2 t90 -63.35 -38.66 92.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.47 . . . . 1.0 111.124 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -13.09 61.18 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 31.0 m -93.68 -3.11 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 119.723 -0.791 . . . . 1.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.2 80.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.363 -0.695 . . . . 1.0 111.363 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 3.3 t80 -61.43 -43.1 99.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.718 0.294 . . . . 1.0 111.64 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -88.0 -2.6 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.332 -0.547 . . . . 1.0 111.286 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -90.37 123.85 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.2 -0.666 . . . . 1.0 109.2 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -140.89 144.67 35.37 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -84.43 111.09 19.15 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.486 -0.886 . . . . 1.0 109.758 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.75 160.62 25.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--N 1.308 -1.562 0 C-N-CA 122.753 2.302 . . . . 1.0 112.232 -179.807 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 N--CA 1.483 0.886 0 N-CA-C 109.539 -0.985 . . . . 1.0 109.539 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.78 -8.99 39.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.765 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 687' ' ' SER . . . . . 0.493 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 0.0 OUTLIER -54.49 -47.39 97.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.27 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' B' ' 687' ' ' SER . 50.9 Cg_exo -53.74 -37.92 84.56 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.363 2.042 . . . . 1.0 112.101 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.08 133.57 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.618 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 43.09 69.62 0.62 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -53.84 -38.85 85.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.748 2.299 . . . . 1.0 112.308 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.17 140.85 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.337 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.7 -25.95 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.618 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.13 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.75 -44.42 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.461 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.76 -44.86 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.736 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.06 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.485 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.26 -41.72 99.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 1.0 110.429 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.3 m -60.27 -42.01 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.589 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.13 -46.25 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.77 -40.82 97.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.56 -41.05 99.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.628 -0.589 . . . . 1.0 111.628 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.024 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.88 -42.43 97.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.288 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.59 -43.65 98.28 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.401 -0.52 . . . . 1.0 109.978 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.17 -43.57 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.282 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.52 -45.23 96.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.5 -1.04 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 1.0 110.506 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.86 97.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.489 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.25 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.104 -0.639 . . . . 1.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.32 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.423 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.31 -42.79 99.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.669 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 714' ' ' ILE . 94.9 mt -63.32 -43.96 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.052 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.15 -42.13 94.23 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -42.04 97.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.56 -42.71 99.72 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.805 0.812 . . . . 1.0 110.626 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.411 HD11 HG23 ' B' ' 719' ' ' ILE . 71.5 mt -67.76 -42.5 86.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.937 178.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -62.26 -44.17 97.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.345 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.46 -42.02 86.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.684 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -67.7 -38.35 83.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.05 -0.66 . . . . 1.0 110.975 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.86 -39.51 90.81 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.047 -0.661 . . . . 1.0 109.598 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.179 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.92 -44.76 95.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.575 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.47 138.85 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.898 -1.048 . . . . 1.0 110.563 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.05 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 1.0 110.572 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 959' ' ' LEU . 4.1 mm? -105.0 130.78 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -134.05 146.19 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.59 -77.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.649 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -131.1 146.05 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.76 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.426 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 964' ' ' ILE . 3.0 tp -170.16 64.46 0.48 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 121.186 0.517 . . . . 1.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -80.13 -0.29 10.56 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.48 2.787 . . . . 1.0 112.471 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.03 -42.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.672 -0.695 . . . . 1.0 112.486 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -56.65 -38.92 72.85 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.646 -0.422 . . . . 1.0 111.776 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -60.79 -39.05 87.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.138 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.07 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 1.0 110.79 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.72 -40.68 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -45.67 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.415 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.56 96.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.491 -1.043 . . . . 1.0 110.491 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.36 -44.11 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 1.0 110.887 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.82 -43.14 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.38 -32.78 85.31 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -61.61 -34.89 90.11 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.324 -0.71 . . . . 1.0 111.324 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.96 -40.62 96.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.112 0.482 . . . . 1.0 109.775 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.8 -40.97 97.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.618 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.39 -43.98 97.95 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.14 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.3 -42.43 96.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.138 0.494 . . . . 1.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.32 -44.95 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.503 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.1 -44.0 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.865 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.22 99.42 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.229 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 68.4 t -64.31 -44.03 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.82 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.87 -42.63 99.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.16 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.429 -0.509 . . . . 1.0 111.332 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.18 -41.05 90.82 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -63.07 -38.55 91.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.43 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -11.53 46.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.92 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.93 -18.31 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.413 -0.515 . . . . 1.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.98 5.93 89.34 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.62 -42.35 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.637 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.456 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.3 m-85 -88.89 -4.17 58.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.9 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.74 124.88 35.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.525 HH22 ' CG ' ' B' ' 723' ' ' ASP . 42.5 ttm180 -140.75 146.05 37.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -84.47 111.31 19.37 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.399 -0.92 . . . . 1.0 109.802 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -92.26 149.98 39.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.293 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.314 -1.26 0 C-N-CA 122.292 1.995 . . . . 1.0 112.081 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . 0.469 ' H2 ' ' H ' ' B' ' 686' ' ' GLU . 12.7 Cg_exo . . . . . 0 N--CA 1.484 0.956 0 N-CA-C 109.571 -0.973 . . . . 1.0 109.571 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . 0.469 ' H ' ' H2 ' ' B' ' 685' ' ' PRO . 80.9 tt0 -113.86 125.91 54.59 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.371 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 687' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 46.3 t -170.4 51.91 0.18 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' B' ' 687' ' ' SER . 36.9 Cg_endo -64.68 146.89 89.54 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.894 2.396 . . . . 1.0 112.221 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' B' ' 692' ' ' ASP . 88.8 tttt -62.36 -44.76 95.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.618 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 61.97 -177.94 5.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.71 -40.67 78.91 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.602 2.201 . . . . 1.0 112.512 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 689' ' ' LYS . 99.2 m-20 55.37 33.21 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.91 -43.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.747 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.48 -42.31 99.4 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.523 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.1 -44.49 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.13 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.72 -44.82 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.447 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -42.95 99.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.171 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.57 -43.29 99.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -61.03 -41.7 97.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.164 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.49 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.93 -40.96 99.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.835 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.67 96.55 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.296 0.57 . . . . 1.0 110.656 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.59 -43.49 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.912 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.169 -0.612 . . . . 1.0 109.971 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.23 -43.02 92.78 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.968 -0.693 . . . . 1.0 110.94 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.57 -43.27 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.009 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.79 -41.44 98.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.339 -1.104 . . . . 1.0 110.339 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.89 -41.59 97.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 1.0 110.168 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.7 92.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.469 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.96 96.24 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.405 -0.518 . . . . 1.0 109.985 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.15 -41.52 99.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.056 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.585 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.13 -43.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 1.0 110.208 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.456 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.49 -43.8 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.81 99.52 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.718 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.19 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.436 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.0 -43.66 98.18 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.58 -38.48 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 84.8 m -62.17 -44.41 96.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.979 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.406 HG22 HD12 ' B' ' 721' ' ' ILE . 95.1 mt -62.84 -43.95 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.041 -0.264 . . . . 1.0 111.089 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -64.98 -40.7 95.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.624 -0.431 . . . . 1.0 110.368 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.525 ' CG ' HH22 ' A' ' 995' ' ' ARG . 54.0 m-20 -64.97 -40.43 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.118 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.87 -42.9 99.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.145 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.51 -44.11 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.707 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.7 137.79 57.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.544 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' B' ' 727' ' ' PHE . 55.5 p90 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.673 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.419 -1.472 . . . . 1.0 109.419 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -150.65 152.02 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.663 0.268 . . . . 1.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 962' ' ' ARG . 90.2 mt -110.38 131.11 55.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.12 -36.68 83.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.797 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 961' ' ' GLU . 55.1 mp0 -64.65 -39.99 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.93 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 959' ' ' LEU . 84.8 mtt85 -102.05 136.83 41.21 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.602 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -150.62 152.55 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.699 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 1.2 pt -134.09 76.86 63.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -60.59 144.36 99.53 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.657 2.238 . . . . 1.0 112.685 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt -67.77 -24.46 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.055 -0.975 . . . . 1.0 111.534 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.45 -37.98 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.581 -178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.58 -41.58 90.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.71 -43.67 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.218 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.88 -41.89 98.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.421 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 67.6 t -61.48 -45.38 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.356 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.7 95.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.13 -44.39 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.695 0.283 . . . . 1.0 110.569 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.1 -42.07 98.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.927 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.14 -28.04 70.0 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -61.17 -34.42 87.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.51 -40.85 98.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.24 -41.73 98.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.347 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.458 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 7.2 tt -61.5 -44.29 97.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.941 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.86 -41.26 99.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 1.0 110.188 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.46 -43.86 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 112.068 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.61 -44.67 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.407 -0.517 . . . . 1.0 111.648 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.67 -40.89 97.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.817 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.91 -44.65 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.846 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.53 -41.91 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.032 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.3 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.62 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.47 -37.57 85.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.548 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.619 ' NE1' ' NZ ' ' A' ' 994' ' ' LYS . 11.7 t90 -57.76 -39.27 77.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.007 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -12.17 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.55 -3.56 10.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.38 66.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.744 -0.542 . . . . 1.0 111.744 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 4.0 t80 -61.02 -42.61 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 1.0 110.901 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -92.4 0.93 57.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.632 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . 0.619 ' NZ ' ' NE1' ' A' ' 988' ' ' TRP . 64.8 mttp -102.77 124.59 48.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.172 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.608 HH21 ' CG2' ' B' ' 719' ' ' ILE . 56.3 ttm-85 -141.07 143.78 34.56 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -84.85 111.41 19.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.608 -0.837 . . . . 1.0 110.026 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 160.59 31.73 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 C--N 1.309 -1.538 0 C-N-CA 122.463 2.109 . . . . 1.0 112.187 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.539 -0.985 . . . . 1.0 109.539 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.46 126.87 55.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.446 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 26.7 m 54.6 74.05 0.8 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.349 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.69 145.13 97.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.92 2.413 . . . . 1.0 111.908 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.86 133.95 50.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.252 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 174.17 72.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.53 -36.38 88.5 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.018 2.479 . . . . 1.0 111.817 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -63.12 -38.13 89.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.6 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 31.5 mm -63.66 -44.0 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.657 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.01 -39.86 95.04 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.726 0.774 . . . . 1.0 109.856 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.26 -44.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.461 0.648 . . . . 1.0 109.799 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.81 -43.89 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.228 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.25 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.752 0.31 . . . . 1.0 110.442 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.18 -42.05 99.31 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.9 m -61.46 -42.53 98.92 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.735 0.779 . . . . 1.0 109.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.94 -43.74 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.958 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.29 -40.61 97.83 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.902 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.45 Favored Glycine 0 CA--C 1.537 1.423 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.17 96.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.371 0.605 . . . . 1.0 109.826 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.29 -43.38 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.486 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.289 -0.564 . . . . 1.0 110.735 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.47 -42.81 98.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 1.0 110.635 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.47 -43.93 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.331 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.97 98.4 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.53 -42.43 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.794 0.331 . . . . 1.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.362 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.0 97.14 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.548 -0.461 . . . . 1.0 110.599 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.66 -41.96 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.645 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.95 -41.9 99.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.519 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.17 -44.08 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.631 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -63.27 -41.79 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 1.0 108.965 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -41.32 94.74 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.275 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.8 -40.99 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.761 -0.375 . . . . 1.0 110.499 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.69 -42.29 99.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.031 0.443 . . . . 1.0 110.696 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.608 ' CG2' HH21 ' A' ' 995' ' ' ARG . 91.7 mt -65.0 -40.45 89.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.944 0.878 . . . . 1.0 109.33 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 85.9 m -61.02 -43.3 99.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 119.625 -0.83 . . . . 1.0 110.032 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.14 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -68.47 -39.27 81.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.657 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 68.5 t0 -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.99 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -62.02 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.608 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.78 -42.4 99.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.94 -39.39 90.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.531 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.713 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . 0.412 ' H3 ' ' H ' ' A' ' 958' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.5 -1.44 . . . . 1.0 109.5 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.412 ' H ' ' H3 ' ' A' ' 957' ' ' GLY . . . -63.76 -37.8 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 1.0 110.612 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.4 mt -109.98 130.7 55.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.48 136.11 56.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.513 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.02 138.35 55.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -62.52 -43.2 99.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -150.26 153.57 36.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.669 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 2.0 pt -117.41 75.14 8.67 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.17 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.46 -9.25 21.42 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.608 2.206 . . . . 1.0 112.373 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.8 pt -64.15 -23.13 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 112.201 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.213 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -60.71 -39.12 87.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.297 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.6 -44.02 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.36 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.27 -41.41 98.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.18 -44.8 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.62 93.64 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.631 -0.987 . . . . 1.0 110.631 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.87 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 1.0 110.165 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.69 -41.31 99.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 1.0 109.831 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.48 90.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.96 -40.92 99.11 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.82 -41.87 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.426 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.89 -41.71 95.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 1.0 109.566 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.1 m -63.07 -44.7 95.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.909 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.55 -44.37 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.033 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.06 -40.38 97.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.468 0.652 . . . . 1.0 110.43 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.09 -43.32 85.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 122.114 0.959 . . . . 1.0 110.976 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.42 -42.66 92.34 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.998 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.92 -42.95 94.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.926 -1.509 . . . . 1.0 111.504 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.27 -38.64 85.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.821 0.82 . . . . 1.0 110.797 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.492 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -62.41 -37.19 84.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.372 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -12.21 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.47 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.44 -19.22 7.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.149 0.5 . . . . 1.0 109.754 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.18 6.18 89.02 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.424 -1.071 . . . . 1.0 110.424 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.72 -42.52 99.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 57.4 m-85 -89.89 -3.04 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.408 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -97.41 123.65 41.32 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.08 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.534 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 95.4 mtt180 -141.0 153.97 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -85.36 111.51 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.84 160.71 25.08 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.626 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--N 1.308 -1.576 0 C-N-CA 122.652 2.235 . . . . 1.0 112.019 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . 0.471 ' H2 ' ' H ' ' B' ' 686' ' ' GLU . 12.8 Cg_exo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.468 -1.012 . . . . 1.0 109.468 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . 0.471 ' H ' ' H2 ' ' B' ' 685' ' ' PRO . 80.2 mm-40 -113.51 125.1 53.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.177 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 99.7 p 41.1 69.82 1.84 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.692 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.9 -38.17 85.9 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.94 2.427 . . . . 1.0 112.133 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.66 133.55 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 149.68 69.06 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.16 -38.24 87.71 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.739 2.293 . . . . 1.0 112.18 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -69.22 141.78 54.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.456 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.72 -26.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.674 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.02 -43.47 98.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.044 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.68 -43.6 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 1.0 109.658 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.33 -43.53 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.809 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.28 97.61 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.803 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 8.4 mp -64.1 -41.91 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.312 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.3 m -60.81 -45.27 95.1 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.37 -37.45 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.77 -41.03 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.66 97.78 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.568 -1.013 . . . . 1.0 110.568 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.828 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.16 -43.67 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.136 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.91 -41.8 99.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.028 0.442 . . . . 1.0 109.847 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.997 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.06 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.945 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.61 -40.31 98.98 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.165 -1.174 . . . . 1.0 110.165 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.17 -42.09 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 1.0 110.481 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.75 90.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.475 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.1 96.29 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 119.956 -0.698 . . . . 1.0 110.197 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.157 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.69 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.55 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.43 -43.96 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-O 121.304 0.573 . . . . 1.0 110.07 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.8 t90 -60.8 -42.44 97.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.91 91.53 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.907 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.13 -40.68 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.542 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.94 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.317 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.7 m -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.43 -43.35 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.029 0.442 . . . . 1.0 110.507 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -64.44 -38.36 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.534 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 47.0 m-20 -64.39 -37.59 88.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.778 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.09 -39.08 92.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 1.0 111.507 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.04 -40.17 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.388 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 59.16 30.72 20.55 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.395 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' B' ' 727' ' ' PHE . 89.5 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.24 143.24 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 1.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.07 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.03 -38.52 88.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.69 137.84 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.721 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -68.8 136.7 53.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.484 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -64.98 143.17 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.143 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 7.8 pt -128.81 76.26 79.14 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.798 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -76.22 -4.2 14.79 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.865 2.376 . . . . 1.0 112.214 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.85 -42.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.951 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -57.33 -39.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.564 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -61.45 -40.74 95.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.905 -0.718 . . . . 1.0 110.425 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.43 -43.8 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.49 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.46 -41.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.55 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.59 -45.55 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.678 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.28 98.9 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.87 -44.79 99.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 1.0 110.457 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 1.0 109.968 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.89 -23.44 63.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.93 91.37 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.5 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.86 -40.83 98.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.69 -42.69 99.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.896 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.91 -42.05 97.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.482 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 16.0 m -62.85 -41.73 99.47 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.397 -0.819 . . . . 1.0 111.67 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.0 -44.78 99.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 119.56 -0.856 . . . . 1.0 110.898 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -41.72 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.48 . . . . 1.0 110.223 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.2 -43.35 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.494 -0.775 . . . . 1.0 111.019 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.629 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.26 96.23 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.434 -0.507 . . . . 1.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 74.9 mtm -65.69 -40.4 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 111.284 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.0 t90 -60.1 -37.89 81.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.349 0.595 . . . . 1.0 110.028 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -36.02 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 1.0 111.567 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 992' ' ' PHE . 10.2 m -89.59 -15.04 8.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.823 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 75.98 7.73 84.31 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.434 ' H ' HG22 ' A' ' 990' ' ' VAL . 3.7 t80 -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.981 -0.288 . . . . 1.0 110.845 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 32.8 m-85 -97.41 -4.17 38.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.764 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.1 mttt -134.19 144.89 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 1.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 95.9 mtt180 -136.68 153.14 50.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.667 -0.813 . . . . 1.0 109.761 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -96.3 156.59 36.74 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.24 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo . . . . . 0 C--N 1.31 -1.472 0 C-N-CA 122.324 2.016 . . . . 1.0 112.035 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo . . . . . 0 N--CA 1.484 0.967 0 N-CA-C 109.59 -0.965 . . . . 1.0 109.59 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -113.68 125.37 54.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.949 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 687' ' ' SER . . . . . 0.496 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 0.3 OUTLIER 176.96 -46.94 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.034 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 687' ' ' SER . 50.7 Cg_exo -54.08 -37.82 87.0 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 1.0 112.208 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.32 145.68 35.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -74.07 176.5 46.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.15 152.05 67.12 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.022 2.481 . . . . 1.0 112.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.12 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.201 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 19.6 tt -66.05 -39.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.031 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.22 -41.82 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.139 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.87 -45.09 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.505 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.89 -42.39 99.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.182 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.23 -43.09 99.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.2 m -60.85 -41.79 96.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.193 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.73 -44.77 99.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.35 -41.41 98.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.949 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.69 96.66 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.737 -0.744 . . . . 1.0 111.323 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.39 93.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 1.0 111.276 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.62 -44.09 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.519 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.13 -41.68 99.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.224 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.412 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.52 -43.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.948 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.18 99.15 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.83 -41.55 99.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.856 0.36 . . . . 1.0 110.766 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.98 84.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.835 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.62 97.9 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.66 -39.99 95.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.49 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.3 -42.7 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.287 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.43 -43.62 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.61 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.369 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -41.43 97.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.134 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -42.95 98.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.99 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.09 -44.02 96.88 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.1 tt -68.49 -38.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.417 -0.513 . . . . 1.0 110.67 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.0 m -61.58 -44.13 97.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.944 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.04 -43.57 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.799 -0.361 . . . . 1.0 111.173 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.24 -39.4 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.677 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 70.1 m-20 -63.83 -42.68 97.57 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.779 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.89 -39.44 94.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 28.3 tttt 48.48 35.09 5.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.435 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -66.46 140.0 58.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.814 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.612 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.612 -1.395 . . . . 1.0 109.612 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.722 0.296 . . . . 1.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.83 -42.07 99.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.547 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.7 136.63 54.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.468 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.28 135.74 53.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.31 -40.52 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.459 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.54 52.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.701 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.591 ' N ' ' CD ' ' A' ' 965' ' ' PRO . 7.9 pt -145.29 39.91 0.26 Allowed Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.251 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 964' ' ' ILE . 37.6 Cg_endo -66.1 -21.64 55.64 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.415 2.077 . . . . 1.0 112.632 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.64 -43.45 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.419 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.95 -41.86 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.842 -0.343 . . . . 1.0 111.039 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.64 -40.83 98.25 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.631 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.21 -44.12 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.816 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.97 -41.2 97.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.523 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.9 -44.91 99.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -41.32 99.72 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.181 -0.768 . . . . 1.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.81 -44.14 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.953 -0.299 . . . . 1.0 110.44 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.93 -42.68 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.468 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.97 -40.7 99.63 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.97 -39.89 97.73 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.16 -40.44 97.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 1.0 110.217 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -41.73 97.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.294 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.9 tt -61.47 -44.61 96.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.354 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.44 -42.8 98.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.531 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.77 -45.25 93.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.624 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 1.0 111.197 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.95 -43.4 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 1.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.45 -44.23 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.272 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.69 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.719 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.3 mtt -64.87 -41.05 95.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 1.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.449 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.7 t90 -62.37 -40.6 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.267 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -11.74 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.037 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.09 -16.71 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 1.0 110.163 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.55 11.58 81.65 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.069 -1.212 . . . . 1.0 110.069 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.54 -42.49 98.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.287 -0.456 . . . . 1.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 59.9 m-85 -98.64 -0.93 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.039 0.385 . . . . 1.0 112.039 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -112.13 129.82 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 1.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.568 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.6 mtt180 -134.08 153.22 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.813 -0.81 . . . . 1.0 108.813 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -84.55 111.43 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.717 -0.793 . . . . 1.0 109.637 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.31 160.85 25.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.449 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.309 -1.518 0 C-N-CA 122.564 2.176 . . . . 1.0 112.08 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 N--CA 1.485 0.973 0 N-CA-C 109.491 -1.004 . . . . 1.0 109.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.85 -39.1 90.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.712 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 4.9 t 41.1 57.93 8.67 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.941 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.67 -20.12 53.26 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.638 2.225 . . . . 1.0 112.176 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.05 133.57 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.681 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' B' ' 691' ' ' PRO . . . 172.97 -49.29 0.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' B' ' 690' ' ' GLY . 21.2 Cg_exo -61.95 146.85 96.14 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.866 2.377 . . . . 1.0 112.015 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 59.3 38.78 23.07 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.6 -26.02 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.383 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.895 0.331 . . . . 1.0 111.895 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' B' ' 696' ' ' VAL . 1.9 m -64.2 -40.85 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.201 -0.6 . . . . 1.0 110.161 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.435 ' N ' ' CG2' ' B' ' 695' ' ' VAL . 68.3 t -62.97 -44.49 99.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.02 -42.99 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.057 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.0 -42.09 99.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.905 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -60.2 -41.37 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.46 -46.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.564 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.542 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.47 -39.5 96.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.498 -0.641 . . . . 1.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.02 99.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.986 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 33.1 mm -64.12 -43.27 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 1.0 110.172 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.68 -42.09 98.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.346 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.28 -41.86 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.69 -43.43 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.0 109.837 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.24 99.32 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.353 -1.099 . . . . 1.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.92 -42.47 99.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 1.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.98 93.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.083 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.85 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.309 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.3 -42.85 99.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.52 -43.72 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 1.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.89 -43.07 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.53 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.81 97.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.905 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.98 -42.71 99.91 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.294 -0.563 . . . . 1.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.7 -45.16 94.04 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.83 -38.36 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.781 -0.768 . . . . 1.0 110.279 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.0 m -58.41 -41.93 86.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.904 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.99 -41.86 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.732 0.777 . . . . 1.0 110.029 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -70.73 -34.81 72.27 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.568 ' CG ' HH12 ' A' ' 995' ' ' ARG . 67.5 t0 -65.74 -42.18 91.27 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.751 -1.113 . . . . 1.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.81 -40.29 91.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.388 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.45 17.46 20.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.699 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.37 -38.87 92.82 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.883 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.475 ' CG ' ' O ' ' B' ' 727' ' ' PHE . 89.0 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.835 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.448 0 N-CA-C 109.721 -1.351 . . . . 1.0 109.721 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.24 90.4 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 1.0 109.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 960' ' ' GLU . 90.3 mt -111.35 130.99 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.631 . . . . 1.0 109.716 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 959' ' ' LEU . 80.8 tt0 56.5 109.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 1.0 110.161 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.73 138.33 58.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.538 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.518 HH22 ' CD1' ' A' ' 966' ' ' ILE . 71.8 ttt180 -61.84 -43.05 99.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.261 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 962' ' ' ARG . . . 57.95 155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.4 mt 60.57 68.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.66 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.572 2.181 . . . . 1.0 112.967 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.518 ' CD1' HH22 ' A' ' 962' ' ' ARG . 96.5 mt -67.72 -20.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.661 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.15 -36.73 71.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.492 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -57.9 -40.75 81.08 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.746 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.08 -42.95 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.953 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.82 -42.74 99.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 1.0 112.331 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.5 -41.49 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.928 -0.709 . . . . 1.0 110.238 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.22 95.66 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.136 -1.186 . . . . 1.0 110.136 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 67.6 t -63.44 -44.45 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 1.0 110.5 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.58 -41.54 99.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.35 -38.35 95.56 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.95 95.71 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.214 -1.154 . . . . 1.0 110.214 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.87 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 1.0 110.345 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -40.36 96.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.621 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.466 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.5 tt -60.74 -45.38 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.465 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 56.2 tp -63.95 -42.31 97.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 1.0 110.104 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 81.6 m -62.46 -44.48 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.443 -0.798 . . . . 1.0 112.227 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 982' ' ' ILE . 92.4 mt -62.94 -44.12 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.714 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.3 -42.03 99.01 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.149 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.3 -44.36 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.189 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.403 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.4 93.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.146 -0.622 . . . . 1.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.04 -40.83 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.779 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.6 t90 -61.77 -41.19 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.414 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -13.87 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.053 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.3 t -90.61 -17.49 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.363 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 8.31 77.69 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.76 -42.46 99.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 1.0 110.54 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.434 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 41.8 m-85 -88.09 -2.55 58.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.401 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.42 129.1 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.533 HH12 ' CG ' ' B' ' 723' ' ' ASP . 59.5 ttt85 -140.08 145.42 37.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -83.62 111.96 19.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.405 -0.918 . . . . 1.0 109.999 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.35 156.7 41.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.492 1.395 0 C-N-CA 122.356 2.037 . . . . 1.0 112.11 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.483 0.855 0 N-CA-C 109.641 -0.946 . . . . 1.0 109.641 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.92 -38.92 89.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 30.1 t 50.99 73.79 0.92 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.83 -37.78 85.19 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.92 2.413 . . . . 1.0 112.204 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 690' ' ' GLY . 98.9 mttt -62.8 -41.33 99.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' B' ' 689' ' ' LYS . . . -55.02 -163.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.12 144.77 99.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.75 2.3 . . . . 1.0 111.941 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -92.14 -1.22 57.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.168 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.7 tt -65.97 -40.9 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.886 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.53 -42.19 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.176 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.79 -44.36 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.85 -44.44 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.95 -43.24 99.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.858 0.361 . . . . 1.0 110.472 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.88 -41.5 97.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.066 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.8 m -60.33 -44.53 95.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.249 0.463 . . . . 1.0 112.249 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -65.36 -41.55 91.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.727 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.74 -40.85 97.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.53 99.28 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.54 -0.624 . . . . 1.0 111.54 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.62 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.955 0.407 . . . . 1.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.98 -43.34 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.16 -41.84 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.62 -43.71 98.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.93 -43.96 98.71 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.383 -1.087 . . . . 1.0 110.383 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.91 -41.89 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.093 0.473 . . . . 1.0 110.849 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.7 94.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.908 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.44 97.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 1.0 110.453 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.08 -41.62 97.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.505 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.83 -45.32 94.33 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 121.956 0.884 . . . . 1.0 109.792 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.176 -1.41 . . . . 1.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.434 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.54 -42.64 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.28 92.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.146 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.87 -39.87 95.75 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.567 -0.453 . . . . 1.0 111.031 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.88 -42.47 99.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.977 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.68 -43.64 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 121.295 0.569 . . . . 1.0 110.388 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 11.9 m -61.74 -42.61 99.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.686 1.231 . . . . 1.0 110.782 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.2 -44.02 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 118.511 -1.276 . . . . 1.0 111.253 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . 0.44 ' O ' ' OE1' ' B' ' 726' ' ' GLU . 68.2 m80 -65.55 -40.86 93.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.98 -0.688 . . . . 1.0 109.815 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.533 ' CG ' HH12 ' A' ' 995' ' ' ARG . 42.4 m-20 -65.47 -38.15 88.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.114 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.54 -43.48 98.71 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.458 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -42.61 99.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.442 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 722' ' ' HIS . 57.3 mp0 -112.88 124.62 53.03 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.879 0.371 . . . . 1.0 110.409 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.239 179.827 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 958' ' ' ALA . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.728 -1.349 . . . . 1.0 109.728 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 957' ' ' GLY . . . 37.91 95.82 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.878 0.37 . . . . 1.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.95 -41.91 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.532 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -111.21 121.89 46.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.146 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.07 -41.79 90.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.886 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -146.9 150.07 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 1.0 111.198 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -70.05 144.61 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.478 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.43 157.41 75.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.121 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.68 -12.12 34.43 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.564 2.176 . . . . 1.0 112.278 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.1 -41.7 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.282 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -60.88 -38.56 86.06 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 122.056 0.931 . . . . 1.0 111.217 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.08 -46.29 81.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 120.0 -0.68 . . . . 1.0 112.565 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.36 -37.71 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 119.675 -0.81 . . . . 1.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.863 0.363 . . . . 1.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.14 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.691 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.26 97.31 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.3 -44.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.0 110.354 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.47 -42.15 99.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.143 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.84 98.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.11 -40.37 99.11 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.413 -1.075 . . . . 1.0 110.413 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 1.0 110.033 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.08 -42.03 98.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 979' ' ' LEU . 2.7 tm? -61.27 -44.13 97.73 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.13 -41.85 99.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.135 0.493 . . . . 1.0 110.262 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.3 m -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.961 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -44.62 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.404 -0.518 . . . . 1.0 111.732 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.53 -34.71 78.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.344 1.545 . . . . 1.0 110.577 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.9 -44.43 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 119.026 -1.069 . . . . 1.0 110.777 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.77 -40.07 96.12 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 122.603 1.192 . . . . 1.0 109.569 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.58 94.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 119.052 -1.059 . . . . 1.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 57.8 mtt -64.0 -40.84 97.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.492 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.9 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -11.72 60.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.138 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 36.8 t -90.31 -15.77 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.095 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 85.05 12.5 73.83 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.41 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 4.5 t80 -61.3 -42.26 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.969 -0.292 . . . . 1.0 110.625 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.443 ' CD1' ' CZ2' ' B' ' 715' ' ' TRP . 14.8 m-85 -87.97 -1.54 58.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.268 -0.573 . . . . 1.0 110.456 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -114.03 130.83 56.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.535 HH22 ' CG ' ' B' ' 723' ' ' ASP . 85.3 mtp180 -133.72 153.0 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -84.38 111.31 19.33 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.512 -0.875 . . . . 1.0 110.011 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.39 160.56 68.15 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--N 1.308 -1.565 0 C-N-CA 122.533 2.155 . . . . 1.0 112.111 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 109.542 -0.984 . . . . 1.0 109.542 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.95 -38.65 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.438 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 38.2 m 54.49 70.56 1.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -53.96 -37.81 86.14 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.959 2.439 . . . . 1.0 112.244 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -41.61 99.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.401 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 98.31 -164.96 21.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.43 145.44 98.08 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.826 2.351 . . . . 1.0 111.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -90.69 -2.21 57.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.248 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.4 tt -66.24 -39.52 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.07 -41.87 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.145 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.88 -44.62 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.33 -43.73 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.43 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.53 -43.83 98.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.449 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.1 -41.2 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.139 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 64.3 m -60.24 -44.53 95.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 1.0 112.061 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 17.2 m -65.71 -40.96 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.631 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.51 -40.78 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 1.0 110.402 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.93 -40.74 98.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.56 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.74 -43.4 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.406 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.01 -42.9 99.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.04 -42.05 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.231 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.51 -43.73 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.977 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.23 99.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.494 -1.042 . . . . 1.0 110.494 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.19 -42.55 99.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.379 . . . . 1.0 110.223 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.87 81.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.572 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.27 85.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.2 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.25 -41.66 99.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.085 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.15 -43.78 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.819 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 993' ' ' PHE . 2.0 t90 -59.51 -43.92 93.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.196 0.522 . . . . 1.0 109.665 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.33 98.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 1.0 110.139 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.79 -39.76 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.143 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.67 -42.62 99.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.122 -0.631 . . . . 1.0 111.298 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.97 -43.85 97.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 120.391 -0.524 . . . . 1.0 109.895 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -61.63 -44.97 95.99 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 120.886 0.374 . . . . 1.0 111.248 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.62 -45.04 99.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.234 -0.986 . . . . 1.0 110.747 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -66.26 -39.65 89.6 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.857 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.535 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.4 m-20 -64.76 -37.13 86.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 1.0 110.792 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 57.94 58.52 3.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.205 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.95 -42.24 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.468 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.92 138.7 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.965 -1.016 . . . . 1.0 110.44 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 963' ' ' ALA . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.52 86.97 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 960' ' ' GLU . 89.3 mt -110.44 132.08 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.294 -0.866 . . . . 1.0 109.37 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 959' ' ' LEU . 97.3 mt-10 57.06 123.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.033 0.444 . . . . 1.0 110.773 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -65.39 -38.55 90.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.91 -43.19 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.164 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 957' ' ' GLY . . . -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.417 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 16.6 pt -147.39 60.88 5.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.46 -12.46 34.9 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.882 2.388 . . . . 1.0 112.199 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.92 -22.67 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.609 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -61.92 -38.39 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.158 -0.617 . . . . 1.0 111.536 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -60.66 -47.61 85.5 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.216 0.45 . . . . 1.0 112.216 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.29 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.275 -0.57 . . . . 1.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.93 -42.32 99.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.296 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.89 -44.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.986 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.04 97.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.681 -0.568 . . . . 1.0 111.681 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.24 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.569 -0.452 . . . . 1.0 110.726 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.61 -40.72 97.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.627 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.29 98.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.63 -39.6 97.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.334 -1.107 . . . . 1.0 110.334 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.25 -40.94 98.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.049 0.452 . . . . 1.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.12 -41.28 98.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.811 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.14 -42.47 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.676 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.0 m -62.7 -47.48 83.42 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.1 tt -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.147 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.02 -41.54 99.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 1.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 64.5 t -62.08 -44.73 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.51 -42.03 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.96 -40.93 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.639 -0.425 . . . . 1.0 110.661 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.42 -38.16 86.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.908 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.448 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.8 t90 -58.21 -40.39 81.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 1.0 110.337 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -12.16 61.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 58.8 t -91.26 -0.61 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.004 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 89.99 14.34 59.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.447 ' CD2' ' CE2' ' A' ' 993' ' ' PHE . 3.3 t80 -60.76 -43.01 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.639 0.257 . . . . 1.0 111.005 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.447 ' CE2' ' CD2' ' A' ' 992' ' ' PHE . 55.2 m-85 -97.5 -4.09 38.63 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.453 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.0 mttt -131.53 139.56 49.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.474 . . . . 1.0 111.226 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.545 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 78.6 mtp85 -140.06 154.24 47.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -85.19 111.69 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.7 -0.8 . . . . 1.0 110.084 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -93.27 156.62 39.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.447 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 112.156 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.484 0.964 0 N-CA-C 109.579 -0.969 . . . . 1.0 109.579 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . 0.424 ' O ' ' OG ' ' B' ' 687' ' ' SER . 97.2 mt-10 -119.0 133.89 55.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 687' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 686' ' ' GLU . 2.8 p 50.08 73.79 0.92 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.59 145.57 97.59 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.835 2.356 . . . . 1.0 111.998 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -110.98 145.63 38.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 46.95 -170.75 0.04 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -61.79 144.98 97.46 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.892 2.395 . . . . 1.0 112.086 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.83 113.3 24.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.118 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 45.7 pt -67.05 -22.65 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.25 -43.48 97.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.816 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.11 -44.21 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.13 -45.14 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.851 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.97 -43.93 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.891 -0.324 . . . . 1.0 110.502 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.53 -43.35 97.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.8 m -60.84 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.87 -46.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.911 -0.316 . . . . 1.0 110.888 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 96.9 mtp -63.26 -43.09 98.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.428 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.71 -42.45 93.21 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.832 -0.699 . . . . 1.0 111.669 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.42 92.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.68 -0.408 . . . . 1.0 111.26 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.52 -43.7 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.934 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.12 -43.58 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.86 -0.336 . . . . 1.0 110.898 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.388 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -64.1 -46.87 90.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.74 -43.04 97.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 111.229 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.5 97.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.789 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.8 -42.39 95.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.48 -0.488 . . . . 1.0 110.871 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.82 -42.17 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.045 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.0 -42.73 99.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.571 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.48 -43.99 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.328 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -63.66 -46.02 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.395 0.617 . . . . 1.0 109.91 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.02 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 1.0 109.768 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.019 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.38 -42.79 99.69 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.042 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.36 -44.14 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.06 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.9 m -58.78 -43.33 90.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.184 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.74 -44.43 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.978 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -65.69 -39.72 91.58 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.755 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.545 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 91.8 m-20 -62.65 -42.02 99.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.69 -39.58 93.91 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.79 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.693 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.6 t80 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.503 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.583 -1.407 . . . . 1.0 109.583 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.55 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.675 0.274 . . . . 1.0 110.664 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.84 130.39 55.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.376 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.0 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.28 138.02 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -75.15 145.45 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.19 35.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.34 156.08 39.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.164 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.76 -16.74 51.09 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.409 2.073 . . . . 1.0 112.257 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.84 -24.87 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.618 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -59.83 -39.2 84.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.16 -40.44 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.03 -44.24 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.48 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.11 -41.49 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.301 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.46 -45.1 99.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.479 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.24 99.78 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.189 -0.764 . . . . 1.0 111.189 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 49.4 t -63.55 -44.49 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.0 110.551 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.4 -41.21 98.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 1.0 110.674 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.67 93.57 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.06 -42.88 99.75 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.35 -40.32 96.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.987 0.422 . . . . 1.0 109.981 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.8 -41.83 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.25 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.6 tt -61.36 -45.06 95.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 1.0 110.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.8 tp -64.49 -41.68 96.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.616 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 87.5 m -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.68 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 44.0 pt -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.202 -0.599 . . . . 1.0 111.544 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.79 -41.5 99.29 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.01 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 70.3 t -62.64 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.51 -41.96 99.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.182 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.2 -41.11 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.346 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.6 t90 -61.36 -40.7 95.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.248 0.546 . . . . 1.0 109.818 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -11.69 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.208 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.5 t -89.49 -16.02 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.89 0.376 . . . . 1.0 110.213 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.64 10.6 72.82 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.23 -42.73 99.11 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.549 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.469 ' CE1' ' CE2' ' B' ' 715' ' ' TRP . 67.5 m-85 -87.45 -2.69 58.79 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.747 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.64 141.43 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.291 -0.563 . . . . 1.0 109.869 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.531 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 18.3 mmm180 -134.76 152.7 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -84.73 111.48 19.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.513 -0.875 . . . . 1.0 109.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.06 160.56 60.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--N 1.309 -1.542 0 C-N-CA 122.516 2.144 . . . . 1.0 112.095 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . 0.438 ' H2 ' ' H ' ' B' ' 686' ' ' GLU . 11.9 Cg_exo . . . . . 0 N--CA 1.484 0.921 0 N-CA-C 109.547 -0.982 . . . . 1.0 109.547 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . 0.438 ' H ' ' H2 ' ' B' ' 685' ' ' PRO . 83.7 tt0 -66.02 -38.92 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.463 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 10.9 t -176.16 73.43 0.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.58 145.39 97.77 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.921 2.414 . . . . 1.0 111.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -141.13 151.14 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.771 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 171.18 71.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.64 -34.64 84.18 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.183 2.589 . . . . 1.0 112.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.83 -11.19 54.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.25 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.3 tt -65.27 -39.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.19 -41.09 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 1.0 110.323 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.72 -42.64 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.35 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.0 -44.53 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.75 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.65 -43.65 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.561 -0.456 . . . . 1.0 109.977 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.46 -41.46 98.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.881 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.9 m -60.42 -42.55 96.25 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.019 -0.273 . . . . 1.0 111.176 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.56 -45.33 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.933 0.397 . . . . 1.0 110.074 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -62.35 -40.12 95.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.803 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -39.89 98.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 1.0 111.439 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.3 96.65 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.091 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.96 -43.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 1.0 111.063 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.773 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.54 -42.62 99.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.096 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -43.59 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.12 92.8 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.741 -0.742 . . . . 1.0 111.335 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.31 -39.24 93.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.362 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.04 99.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.865 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.67 94.64 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.734 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.65 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.469 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.15 -44.02 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.266 0.555 . . . . 1.0 109.529 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -44.75 92.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.78 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 97.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.738 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.63 -45.31 93.43 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.84 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.5 tt -68.67 -37.43 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.754 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.4 m -60.66 -42.1 96.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.164 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.453 ' CG2' ' NZ ' ' B' ' 725' ' ' LYS . 92.8 mt -62.68 -43.37 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.131 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -64.89 -37.69 88.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.686 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.531 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 68.1 m-20 -66.36 -37.75 86.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.258 -0.577 . . . . 1.0 109.665 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.45 -43.43 98.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.409 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . 0.453 ' NZ ' ' CG2' ' B' ' 721' ' ' ILE . 63.4 mttp -63.06 -42.11 99.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.72 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.47 -39.55 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.777 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' B' ' 727' ' ' PHE . 89.1 t80 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 958' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.434 ' CB ' ' OE2' ' A' ' 961' ' ' GLU . . . 58.47 124.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 1.0 110.721 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 960' ' ' GLU . 40.3 tp -111.87 125.82 54.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 959' ' ' LEU . 97.3 mt-10 35.94 70.2 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.205 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.434 ' OE2' ' CB ' ' A' ' 958' ' ' ALA . 97.7 mt-10 -64.59 131.72 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.328 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.06 -43.12 99.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.135 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.11 19.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.665 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 2.5 mt 63.29 77.65 0.32 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.744 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -61.53 146.63 96.81 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.559 2.172 . . . . 1.0 111.993 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.3 pt -77.13 -15.07 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.099 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -58.96 -39.35 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.45 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -61.14 -39.16 89.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.481 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.76 -43.94 98.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.381 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.75 -41.92 98.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.84 -44.99 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.431 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.05 94.15 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.92 -44.7 99.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 1.0 110.453 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.64 -41.88 99.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.38 -39.61 97.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.746 -0.942 . . . . 1.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -64.2 -39.08 96.77 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.93 -40.51 97.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.981 0.419 . . . . 1.0 109.971 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.16 -41.51 98.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.5 tt -61.25 -44.39 97.33 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.341 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.53 -41.93 98.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.162 0.506 . . . . 1.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 76.0 m -61.94 -43.84 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.702 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 982' ' ' ILE . 92.2 mt -62.65 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.663 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.62 -41.35 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.534 -0.466 . . . . 1.0 111.157 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.85 -47.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.707 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.71 -41.44 98.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.71 96.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.371 -0.532 . . . . 1.0 110.65 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.79 -40.34 91.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 1.0 110.122 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.44 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.0 t90 -62.81 -41.59 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.199 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -12.08 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.195 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.4 t -89.54 -18.24 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.84 11.21 81.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.84 -42.14 98.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.685 0.278 . . . . 1.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.52 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.7 m-85 -96.02 -0.51 50.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.895 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -111.13 129.89 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 1.0 110.466 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.554 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.3 mtt180 -133.55 152.64 51.93 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -84.98 111.2 19.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.858 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 160.91 61.56 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.454 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 C--N 1.309 -1.511 0 C-N-CA 122.614 2.209 . . . . 1.0 112.117 -179.761 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 109.44 -1.023 . . . . 1.0 109.44 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.19 -38.35 87.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.534 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 5.9 m -140.37 73.42 30.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.49 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.79 145.37 97.26 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.839 2.359 . . . . 1.0 111.94 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.9 144.78 50.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.58 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.33 -164.87 1.75 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.62 145.58 97.51 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.822 2.348 . . . . 1.0 112.008 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.87 144.06 54.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 21.3 tt -64.72 -24.39 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.929 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.91 -42.12 98.72 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -64.01 -44.05 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.727 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.41 -44.5 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.15 -42.52 99.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.599 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.46 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.0 m -61.51 -45.8 92.67 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.518 0.562 . . . . 1.0 112.518 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.252 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -63.24 -40.04 96.32 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.06 0.457 . . . . 1.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.86 -38.13 95.67 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.79 96.16 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.79 -43.34 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.403 0.62 . . . . 1.0 110.471 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.76 -39.84 93.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.542 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.23 -42.89 99.39 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.27 -42.31 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-O 122.187 0.994 . . . . 1.0 109.424 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.16 97.92 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.031 -1.628 . . . . 1.0 109.031 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.45 -42.67 98.65 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.461 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.24 93.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.69 94.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.3 -42.75 99.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.888 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.629 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.52 -43.89 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.52 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -62.39 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.806 0.812 . . . . 1.0 108.935 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -61.02 -39.93 91.66 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.364 -0.835 . . . . 1.0 109.697 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.14 -42.41 99.47 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.015 -0.674 . . . . 1.0 111.042 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.01 -45.15 94.87 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.965 0.412 . . . . 1.0 111.834 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.5 -35.95 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.604 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 720' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 716' ' ' LYS . 17.0 m -60.43 -44.82 95.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.562 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.72 99.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 120.051 -0.66 . . . . 1.0 110.241 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -67.29 -39.17 85.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.655 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.554 ' CG ' HH12 ' A' ' 995' ' ' ARG . 66.1 t0 -61.81 -42.0 98.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.11 0.481 . . . . 1.0 110.569 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -61.65 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.19 -42.43 99.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.954 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.25 -38.99 89.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 1.0 110.497 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.917 -1.039 . . . . 1.0 110.466 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.23 143.17 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.63 -42.67 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.28 137.16 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -121.31 135.27 55.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.7 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -67.49 143.62 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 965' ' ' PRO . 4.5 pt -132.73 43.34 1.04 Allowed Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 964' ' ' ILE . 28.7 Cg_endo -62.38 -29.23 79.12 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.588 2.192 . . . . 1.0 112.444 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.57 -40.51 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.723 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -58.07 -38.34 76.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.45 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -60.5 -37.99 82.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.819 -0.353 . . . . 1.0 111.007 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.64 -45.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.3 mp -62.65 -41.05 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.391 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.86 -45.47 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.207 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.91 -38.36 95.98 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.579 -1.008 . . . . 1.0 110.579 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.17 -44.49 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 1.0 110.446 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.13 -42.87 99.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.28 -34.63 90.47 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.964 -1.254 . . . . 1.0 109.964 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.31 -37.21 94.5 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.41 -41.04 98.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.84 -40.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.265 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.03 -45.11 96.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.638 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.53 -42.49 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.394 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.2 m -63.22 -45.54 91.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.67 -0.696 . . . . 1.0 111.178 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.36 -44.3 98.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 120.912 -0.315 . . . . 1.0 111.033 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.04 -43.44 98.68 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.312 0.577 . . . . 1.0 110.457 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 63.1 t -64.81 -41.01 91.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.184 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.02 -43.16 99.43 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.48 -0.888 . . . . 1.0 111.298 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.75 90.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.231 -0.588 . . . . 1.0 110.363 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.53 -41.22 93.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.806 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.0 t90 -60.8 -39.28 88.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.78 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -11.71 41.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.119 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -89.05 -20.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.381 -0.528 . . . . 1.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.64 2.07 87.58 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.01 -42.52 99.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 1.0 111.383 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -91.26 -3.56 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.394 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -111.37 125.67 54.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.903 0.383 . . . . 1.0 110.0 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.502 HH12 ' CG ' ' B' ' 723' ' ' ASP . 95.0 mtt180 -138.38 153.68 48.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -84.65 111.61 19.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.727 -0.789 . . . . 1.0 109.904 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -97.36 149.8 36.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.454 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 N--CA 1.488 1.164 0 C-N-CA 122.308 2.005 . . . . 1.0 112.3 179.849 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 N--CA 1.483 0.891 0 N-CA-C 109.58 -0.969 . . . . 1.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.92 -38.98 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 73.4 p 47.31 73.23 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.64 145.34 97.66 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.853 2.369 . . . . 1.0 111.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.3 -37.17 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 112.05 166.4 17.68 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.21 154.15 61.86 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.189 2.593 . . . . 1.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.1 144.14 55.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.242 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.75 -26.03 39.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.004 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.96 -41.04 97.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.059 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.88 -44.53 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.71 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.609 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -41.85 99.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.689 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.33 -42.19 98.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.091 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 59.2 m -60.8 -42.01 96.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.61 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.97 -41.46 99.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.89 -41.02 98.89 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.332 -0.707 . . . . 1.0 111.332 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.624 0.25 . . . . 1.0 111.336 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.42 -44.24 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.02 -41.64 99.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.65 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.227 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.29 -43.98 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.202 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.55 -42.51 98.85 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.492 -1.043 . . . . 1.0 110.492 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.7 -42.16 98.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 1.0 110.702 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.45 93.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.115 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.43 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.258 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.72 -41.32 98.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.27 -42.44 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.26 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.22 -43.81 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.244 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -62.17 -45.13 94.78 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.689 0.757 . . . . 1.0 109.302 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -38.86 92.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.69 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.69 -41.57 97.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.42 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.06 -44.13 97.35 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.683 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.25 -41.82 92.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.306 0 CA-C-O 122.4 1.095 . . . . 1.0 110.797 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 35.8 m -60.81 -44.88 96.29 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.894 -1.048 . . . . 1.0 111.774 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 38.6 pt -63.88 -42.41 95.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.095 -1.042 . . . . 1.0 111.089 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -67.11 -38.25 85.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.464 -0.894 . . . . 1.0 111.097 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.502 ' CG ' HH12 ' A' ' 995' ' ' ARG . 54.2 m-20 -66.3 -37.8 86.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.005 0.431 . . . . 1.0 111.095 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 58.73 58.23 3.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.097 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.61 -42.2 99.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.694 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.9 146.7 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.484 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.715 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.605 -1.398 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.95 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 1.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.38 130.25 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.363 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.17 137.23 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.18 -38.22 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.291 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.84 147.77 43.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.678 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -116.69 148.64 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.77 86.83 31.17 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.762 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.99 -20.68 61.61 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 123.079 2.519 . . . . 1.0 112.232 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.18 -24.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 112.18 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -58.31 -38.93 78.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.871 -0.731 . . . . 1.0 110.259 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -61.05 -38.74 87.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.02 0.438 . . . . 1.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.69 -43.78 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.702 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.936 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.85 -41.21 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.406 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.0 -38.67 96.36 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.41 -45.29 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 1.0 110.4 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.28 -42.6 99.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.297 -0.41 . . . . 1.0 109.962 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.52 76.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.2 -36.34 90.44 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 11.3 mp -61.71 -38.65 88.65 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.134 0.493 . . . . 1.0 109.867 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.84 -39.13 90.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.81 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.87 -45.91 92.69 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.174 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.0 tp -65.07 -41.7 94.82 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.927 -0.709 . . . . 1.0 109.854 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.9 m -61.57 -44.5 96.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.908 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -43.73 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.471 -0.492 . . . . 1.0 110.982 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.329 -0.548 . . . . 1.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 62.8 t -64.23 -44.12 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.866 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.16 -42.54 99.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.329 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.83 99.75 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.725 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.76 -41.29 92.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.0 0.428 . . . . 1.0 110.741 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -62.32 -39.8 94.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.445 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -11.79 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.069 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.28 -19.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.516 -0.474 . . . . 1.0 110.138 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 81.53 6.32 89.26 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.362 -1.095 . . . . 1.0 110.362 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.64 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.823 0.344 . . . . 1.0 110.746 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.429 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 74.2 m-85 -95.58 0.65 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.169 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -88.07 130.99 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.209 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.504 HH22 ' CG ' ' B' ' 723' ' ' ASP . 28.2 mmt85 -137.24 153.36 50.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -84.87 111.34 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.638 -0.825 . . . . 1.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.04 160.46 26.36 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.308 -1.572 0 C-N-CA 122.641 2.227 . . . . 1.0 112.05 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 109.646 -0.944 . . . . 1.0 109.646 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -134.48 146.69 49.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.5 175.15 2.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -53.82 -38.37 85.46 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.067 1.845 . . . . 1.0 112.079 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.09 145.01 50.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -145.02 172.73 25.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.89 -18.33 52.4 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.023 2.482 . . . . 1.0 111.385 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.59 -37.51 81.58 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.524 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 19.5 tt -66.02 -40.36 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.028 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.54 -42.15 99.35 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.98 -44.83 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.125 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.6 -44.44 98.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.482 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.043 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -40.57 96.67 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.592 0.71 . . . . 1.0 109.791 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.7 m -62.94 -39.87 95.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.223 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.95 -45.31 99.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.27 -40.7 98.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.38 96.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.17 95.22 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.16 -41.7 97.05 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.751 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.68 -44.11 97.08 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.809 -178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 21.4 tt -70.31 -39.95 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.851 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.25 99.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.25 -40.74 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 1.0 110.643 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.19 90.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.603 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.06 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.13 -42.09 99.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.332 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.05 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.83 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.42 -43.81 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 1.0 109.994 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.429 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 2.1 t90 -61.8 -45.02 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.784 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.68 -42.87 97.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.313 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.98 -45.1 94.03 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.435 ' CG1' ' NH2' ' A' ' 995' ' ' ARG . 21.0 tt -69.4 -38.5 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 96.2 m -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.396 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.41 -43.75 98.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 1.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -63.97 -38.8 92.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.712 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.504 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.0 m-20 -65.25 -40.82 94.49 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.365 0.602 . . . . 1.0 109.94 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.73 -43.67 98.41 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.725 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' B' ' 727' ' ' PHE . 88.8 tttt -62.77 -42.97 99.93 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 49.12 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.495 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' B' ' 725' ' ' LYS . 89.1 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.14 -0.933 . . . . 1.0 110.407 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.526 -1.43 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -150.62 152.14 33.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.697 0.284 . . . . 1.0 110.481 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.2 126.19 54.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -118.7 131.43 56.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.56 137.29 57.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 38.49 81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 964' ' ' ILE . . . -65.39 -37.87 88.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 963' ' ' ALA . 28.4 pt 35.14 59.59 2.51 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.168 0.508 . . . . 1.0 111.228 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.35 -11.59 28.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.926 2.417 . . . . 1.0 112.607 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.4 pt -62.63 -23.92 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.92 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -62.15 -38.48 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.376 -0.53 . . . . 1.0 111.482 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.61 -47.62 84.61 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.354 0.501 . . . . 1.0 112.354 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.43 -35.84 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.036 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.15 -43.76 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.088 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.14 98.56 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.143 -0.551 . . . . 1.0 112.539 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 16.8 m -65.12 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.589 0.694 . . . . 1.0 110.387 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.85 -41.44 99.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.22 -26.54 67.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -59.25 -40.65 96.13 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.54 -42.41 99.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.707 -0.397 . . . . 1.0 109.997 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.19 -41.39 99.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.795 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.61 -42.19 99.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.813 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 45.9 tp -66.38 -39.99 89.43 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.184 1.468 . . . . 1.0 109.291 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 49.2 m -64.52 -44.22 91.55 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.269 -0.973 . . . . 1.0 111.552 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.14 -45.0 99.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.26 -41.59 99.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.284 0.564 . . . . 1.0 110.111 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.36 -43.45 97.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.727 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.43 -43.64 98.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.911 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.64 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.7 -39.89 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 1.0 110.911 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.461 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.5 t90 -60.53 -39.7 88.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.336 0.588 . . . . 1.0 109.964 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -12.31 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.969 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 79.9 t -91.16 -12.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 12.47 69.73 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.23 -42.79 99.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.441 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -87.86 -3.48 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.501 -0.479 . . . . 1.0 111.122 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -102.13 123.92 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.541 HH12 ' CG ' ' B' ' 723' ' ' ASP . 76.1 ttt180 -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -84.43 111.47 19.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.458 -0.897 . . . . 1.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.34 160.88 26.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--N 1.309 -1.516 0 C-N-CA 122.739 2.293 . . . . 1.0 112.106 -179.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.483 0.902 0 N-CA-C 109.586 -0.967 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 34.2 t 53.11 70.63 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.08 -37.59 86.9 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.038 2.492 . . . . 1.0 112.084 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.81 -41.98 98.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.519 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -122.2 81.89 0.35 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.0 -38.35 86.67 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.557 2.172 . . . . 1.0 112.37 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.15 140.9 54.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.061 0.458 . . . . 1.0 110.709 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.27 -26.65 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.553 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.52 -44.16 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.052 0.453 . . . . 1.0 110.024 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.77 -44.45 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.23 -43.58 98.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.15 -42.3 96.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.618 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.3 m -60.89 -44.76 96.68 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.65 -37.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.56 -0.456 . . . . 1.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.63 -40.87 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.613 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.27 97.41 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.73 92.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.728 0.299 . . . . 1.0 111.054 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . 0.408 HD12 HG22 ' B' ' 704' ' ' ILE . 89.8 mt -63.39 -43.48 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.117 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.272 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.25 -42.1 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.48 -43.63 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.11 99.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.88 -41.81 99.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 1.0 110.32 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.914 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 110.687 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.39 -40.91 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.096 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.48 -41.74 99.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.247 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.22 -44.0 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.46 -41.95 86.33 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.987 0.898 . . . . 1.0 109.152 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.458 ' CE ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -61.01 -41.53 96.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.09 -39.86 93.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.599 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.22 -40.83 95.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 119.909 -0.716 . . . . 1.0 110.698 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.55 -42.77 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.389 0.614 . . . . 1.0 109.619 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 720' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' B' ' 716' ' ' LYS . 14.2 m -62.09 -43.44 98.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.592 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.9 -45.47 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.885 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -62.66 -38.65 91.16 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.047 0.451 . . . . 1.0 110.76 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.541 ' CG ' HH12 ' A' ' 995' ' ' ARG . 52.4 m-20 -66.47 -40.14 89.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.346 -0.541 . . . . 1.0 109.592 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -62.12 -43.03 99.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.202 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.3 138.33 58.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.936 -1.03 . . . . 1.0 110.706 -179.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.572 -1.411 . . . . 1.0 109.572 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.28 143.36 56.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 1.0 110.627 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.77 -41.5 99.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -62.9 142.07 58.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.97 135.94 53.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.524 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -64.3 -39.43 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.76 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -133.1 144.44 49.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.889 0.376 . . . . 1.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.622 ' H ' ' CD ' ' A' ' 965' ' ' PRO . 0.4 OUTLIER -111.97 -38.59 0.11 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.642 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . 0.622 ' CD ' ' H ' ' A' ' 964' ' ' ILE . 43.2 Cg_exo -56.97 -30.26 85.68 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.873 2.382 . . . . 1.0 113.064 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.4 pt -59.28 -39.85 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.482 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -58.05 -38.08 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -62.03 -38.26 88.01 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.489 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.63 -44.63 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -40.61 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.144 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.63 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.2 93.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.61 -44.43 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 1.0 110.267 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -41.74 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.875 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.25 -37.41 94.83 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.117 -1.193 . . . . 1.0 110.117 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.04 -37.75 95.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.54 -41.81 99.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.51 -40.11 95.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.384 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.15 -44.14 97.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.586 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.01 -42.43 97.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.551 . . . . 1.0 110.002 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 89.0 m -62.56 -45.19 94.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.539 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.22 -44.24 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.313 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.4 -42.56 98.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.123 0.487 . . . . 1.0 109.988 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.2 -43.99 97.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.674 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.23 -42.79 99.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.353 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.26 99.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.181 -0.608 . . . . 1.0 110.851 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 96.8 mmm -64.65 -42.47 95.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.328 0.585 . . . . 1.0 110.608 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -63.68 -41.15 98.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 1.0 111.079 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -12.58 60.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.957 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 36.0 t -89.4 -19.13 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.717 -0.475 . . . . 1.0 109.717 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.17 12.12 81.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 110.287 -1.125 . . . . 1.0 110.287 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -42.34 99.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.657 -1.238 . . . . 1.0 107.657 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -86.04 -3.34 58.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.677 -0.692 . . . . 1.0 111.614 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.68 124.37 34.54 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.448 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.548 HH22 ' CG ' ' B' ' 723' ' ' ASP . 80.1 mtp85 -140.73 153.55 45.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -84.28 112.17 20.06 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.022 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.52 160.59 26.12 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.345 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.306 -1.676 0 C-N-CA 122.458 2.105 . . . . 1.0 112.049 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.485 1.0 0 N-CA-C 109.54 -0.984 . . . . 1.0 109.54 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.98 -38.76 89.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.475 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 14.5 m 49.52 72.5 1.23 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -61.53 145.28 97.99 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.767 2.311 . . . . 1.0 111.976 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.57 -44.31 96.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -164.78 -169.03 27.82 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.19 143.55 94.54 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.483 2.122 . . . . 1.0 112.43 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.06 -40.93 97.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.383 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.9 tt -65.54 -38.89 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.64 -43.01 99.65 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.111 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.5 -44.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.12 -44.25 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.657 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.97 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.26 -42.47 99.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 63.8 m -61.3 -44.53 97.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' B' ' 701' ' ' MET . 1.5 m -65.77 -41.97 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.735 -0.786 . . . . 1.0 110.12 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' B' ' 700' ' ' VAL . 94.1 mtp -63.49 -40.97 98.5 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.66 -41.35 99.07 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.218 -0.753 . . . . 1.0 111.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.6 94.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.314 0.578 . . . . 1.0 110.686 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.257 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.73 -41.34 97.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.729 -0.471 . . . . 1.0 109.729 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.01 -43.59 98.34 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.48 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.56 -46.08 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.726 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.36 98.88 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.127 -1.035 . . . . 1.0 110.978 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.72 -42.63 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.489 . . . . 1.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.04 95.52 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.738 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.99 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.549 -0.461 . . . . 1.0 110.816 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.68 -41.79 98.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.513 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.92 -42.41 99.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.44 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.38 -43.77 96.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.418 0.627 . . . . 1.0 109.332 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.51 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 1.0 109.693 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.12 -41.11 97.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.732 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.76 -36.39 83.73 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 122.134 0.969 . . . . 1.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' B' ' 723' ' ' ASP . 75.8 mt -69.52 -43.18 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.33 -1.348 . . . . 1.0 111.227 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -64.3 -48.14 76.79 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.4 mm -65.44 -48.43 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 119.42 -0.912 . . . . 1.0 111.576 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.9 -42.66 80.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.548 ' CG ' HH22 ' A' ' 995' ' ' ARG . 65.5 t0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.76 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' B' ' 725' ' ' LYS . 59.8 ttt85 -61.95 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.367 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' B' ' 724' ' ' ARG . 37.5 tttt 79.2 81.68 0.06 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.584 0.707 . . . . 1.0 110.506 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.13 138.7 57.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.482 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.417 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.585 -1.406 . . . . 1.0 109.585 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.16 142.75 56.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 1.0 110.523 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.89 -41.88 99.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 54.91 30.58 14.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.465 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -120.08 133.93 55.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -90.63 138.23 31.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.437 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -68.03 143.15 55.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 2.5 pt -144.55 72.59 15.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.31 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -61.25 144.72 98.87 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 21.3 tt -73.81 -12.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.657 -0.702 . . . . 1.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -57.46 -36.32 71.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -56.92 -40.28 76.04 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.379 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 50.5 t -66.49 -42.73 90.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.38 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.44 -42.62 99.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.824 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.1 m -64.18 -41.24 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.177 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.61 96.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.63 -44.72 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.96 0.409 . . . . 1.0 110.252 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.17 -42.59 99.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.51 94.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.4 94.69 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.89 -40.92 99.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.572 . . . . 1.0 109.499 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.915 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.15 -45.29 95.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.95 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.96 -42.34 94.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 1.0 110.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.8 m -62.19 -45.68 92.29 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.767 -0.652 . . . . 1.0 112.639 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 42.3 pt -65.3 -41.59 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.215 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.42 -42.54 99.52 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.206 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.59 -44.0 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.408 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.44 -42.69 99.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.449 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.56 98.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.014 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.4 mmm -65.66 -40.63 92.63 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -64.26 -39.74 94.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.495 0.664 . . . . 1.0 110.464 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -13.42 62.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.219 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 83.9 t -87.16 -15.34 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.054 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.61 71.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 3.5 t80 -61.5 -42.66 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 1.0 111.52 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.481 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 62.4 m-85 -96.31 4.61 52.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.475 -0.49 . . . . 1.0 111.549 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.38 125.5 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.857 -0.423 . . . . 1.0 109.857 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.53 HH22 ' CG ' ' B' ' 723' ' ' ASP . 41.8 ttm180 -138.32 144.03 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -84.27 111.12 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.433 -0.907 . . . . 1.0 110.094 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.83 160.74 25.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.173 -0.921 . . . . 1.0 110.507 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo . . . . . 0 C--N 1.309 -1.529 0 C-N-CA 122.613 2.209 . . . . 1.0 112.198 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 N--CA 1.483 0.889 0 N-CA-C 109.609 -0.958 . . . . 1.0 109.609 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.99 -38.56 88.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.712 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 19.1 m -130.63 76.62 77.1 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.94 -37.52 85.83 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.684 2.256 . . . . 1.0 111.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -125.24 144.91 50.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.554 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -92.07 -170.42 41.32 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.36 145.32 98.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.76 2.307 . . . . 1.0 111.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.99 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.624 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.52 -43.21 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.985 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.91 -42.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.771 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.45 -44.08 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.418 -0.81 . . . . 1.0 110.773 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.33 -43.42 98.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.779 -0.369 . . . . 1.0 110.076 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.2 -42.28 99.28 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 60.7 m -60.74 -41.92 96.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.578 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.01 -46.67 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -63.95 -41.14 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.53 -41.59 94.08 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.187 -0.53 . . . . 1.0 111.807 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.45 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.24 -39.6 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.82 -42.26 99.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 1.0 110.367 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.49 -42.77 99.72 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.71 -43.85 98.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.101 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.11 99.73 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.378 -1.089 . . . . 1.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.24 -42.43 99.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 1.0 110.407 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.06 85.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.26 89.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.903 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.22 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.391 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.623 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.3 -43.92 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.481 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.4 -44.2 97.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.141 -0.689 . . . . 1.0 109.141 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.97 85.58 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.07 0.938 . . . . 1.0 109.406 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.74 -43.21 94.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.921 -1.112 . . . . 1.0 110.753 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.4 -43.21 98.17 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 112.723 0.638 . . . . 1.0 112.723 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.36 -38.75 77.91 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 119.015 -1.074 . . . . 1.0 109.646 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.4 m -60.64 -42.51 97.09 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.23 0.538 . . . . 1.0 111.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.421 HD13 HG23 ' B' ' 721' ' ' ILE . 97.3 mt -62.21 -42.29 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.837 -0.539 . . . . 1.0 110.631 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -67.6 -37.69 82.91 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.562 -0.711 . . . . 1.0 110.164 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.53 ' CG ' HH22 ' A' ' 995' ' ' ARG . 55.2 m-20 -63.27 -39.05 93.51 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.626 -0.429 . . . . 1.0 111.507 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -64.47 -38.27 90.44 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 58.32 38.26 25.95 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.341 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -133.14 145.89 51.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.34 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.229 -0.891 . . . . 1.0 110.346 -179.706 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.75 88.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.739 0.304 . . . . 1.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.96 -41.89 99.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.47 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.79 138.13 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.9 -38.85 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.97 134.27 50.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.201 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -151.84 152.52 32.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 7.6 mt -140.29 72.52 32.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.481 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -61.7 145.42 97.45 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.897 2.398 . . . . 1.0 112.13 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.4 pt -78.45 -14.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.71 -38.58 85.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.657 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -60.45 -46.96 88.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.51 -33.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.395 -0.522 . . . . 1.0 111.009 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.43 -43.88 97.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.385 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 18.9 m -65.54 -40.14 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.2 -40.31 98.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.49 -44.52 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 1.0 110.264 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.43 -41.82 98.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.376 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.51 -40.58 98.89 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.31 -0.716 . . . . 1.0 111.31 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.47 99.67 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.466 -1.054 . . . . 1.0 110.466 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.69 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.295 0.569 . . . . 1.0 110.096 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.44 -41.1 98.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.725 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 6.7 tt -61.06 -44.84 96.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.801 -0.36 . . . . 1.0 110.678 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.18 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.086 0.469 . . . . 1.0 110.131 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.51 -44.64 95.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.605 -0.725 . . . . 1.0 112.325 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.09 -44.5 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.791 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.16 -41.86 99.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.413 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 69.9 t -63.9 -44.38 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.36 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.457 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.28 96.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.485 -0.486 . . . . 1.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 66.7 mtt -65.96 -40.56 91.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 1.0 110.532 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.447 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.3 t90 -62.12 -39.57 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.398 0.618 . . . . 1.0 109.865 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -35.48 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.683 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 48.5 t -86.49 -4.37 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.611 -0.435 . . . . 1.0 111.129 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.81 7.57 88.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.18 -41.56 98.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.937 0.399 . . . . 1.0 110.646 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 3.9 m-30 -87.27 -4.95 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.63 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 991' ' ' GLY . 75.5 mmtt -126.95 125.76 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.533 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 62.5 ttp180 -140.6 144.28 35.72 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.151 -0.685 . . . . 1.0 109.151 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -84.41 111.18 19.22 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.955 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.79 148.44 34.8 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.179 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.493 1.499 0 C-N-CA 121.984 1.789 . . . . 1.0 112.083 179.876 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo . . . . . 0 N--CA 1.483 0.876 0 N-CA-C 109.545 -0.983 . . . . 1.0 109.545 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.92 -39.28 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.37 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m 40.82 73.2 0.9 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.634 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.58 144.98 98.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.736 2.291 . . . . 1.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -82.62 143.02 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 137.41 72.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -61.79 145.29 97.31 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.785 2.323 . . . . 1.0 111.775 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.02 168.67 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' B' ' 694' ' ' LEU . 20.7 tt -65.34 -38.75 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.021 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 693' ' ' ILE . 54.7 tp -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.337 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.624 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.83 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.598 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.23 -45.66 92.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.279 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.99 -41.79 95.1 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.188 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 78.1 p -62.08 -44.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.412 0.523 . . . . 1.0 112.412 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.7 -40.67 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 119.901 -0.72 . . . . 1.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.87 -41.15 97.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.303 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.66 96.5 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.63 99.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.961 0.41 . . . . 1.0 110.632 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.714 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.23 -41.37 97.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.453 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.99 -42.03 99.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 46.4 pt -68.35 -40.32 82.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.02 99.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.24 -42.79 99.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 1.0 110.38 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.22 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.34 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.71 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.252 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -44.17 97.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.43 -41.42 98.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.019 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.2 -44.25 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.319 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.428 ' CE3' ' CE2' ' A' ' 993' ' ' PHE . 2.0 t90 -62.03 -44.53 96.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.174 -0.676 . . . . 1.0 109.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -39.12 91.34 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.287 0.565 . . . . 1.0 109.753 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.47 -40.01 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.834 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.77 -42.8 98.22 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.745 0.307 . . . . 1.0 110.215 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.65 -42.7 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.987 0.422 . . . . 1.0 110.408 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.0 m -61.09 -39.39 89.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -43.06 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.618 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -64.46 -41.5 96.49 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.252 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.533 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 55.1 m-20 -61.78 -41.11 97.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.708 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 47.08 42.26 12.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.271 0.557 . . . . 1.0 109.749 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 43.16 30.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.161 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 53.57 30.47 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.648 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.665 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.425 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.48 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.8 mt -110.44 132.05 54.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.84 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.85 138.89 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.608 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.88 -38.12 87.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.442 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -66.95 136.65 55.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.248 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -64.56 142.72 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.411 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.1 149.65 4.88 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.313 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.76 -16.0 45.35 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.72 2.28 . . . . 1.0 112.814 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.5 tt -62.85 -26.93 42.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.723 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -58.48 -39.97 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.09 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -63.4 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.59 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.88 -44.34 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.195 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -41.73 98.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.033 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.82 -44.92 99.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.32 -39.77 97.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.28 -44.27 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.961 0.41 . . . . 1.0 110.111 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -42.6 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.919 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.18 -34.14 89.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.09 -34.69 89.84 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.478 -1.049 . . . . 1.0 110.478 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.9 -40.49 95.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 1.0 110.156 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.15 -39.72 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.27 -43.85 98.2 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.971 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.71 -39.84 94.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.774 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 96.6 m -62.06 -44.82 95.85 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.267 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 982' ' ' ILE . 96.7 mt -63.26 -44.63 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.503 -0.479 . . . . 1.0 111.091 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.05 -41.62 97.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.744 0.307 . . . . 1.0 110.346 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.59 -44.54 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.895 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.4 -42.72 99.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.086 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.2 96.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.409 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 91.1 mmm -64.87 -41.62 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.313 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -63.04 -39.45 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.042 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.79 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.419 -0.809 . . . . 1.0 110.677 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -86.6 -17.34 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.133 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.43 9.72 84.49 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.549 -1.021 . . . . 1.0 110.549 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.765 0.793 . . . . 1.0 108.868 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -88.66 -3.09 58.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.043 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -113.95 125.02 53.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.541 HH12 ' CG ' ' B' ' 723' ' ' ASP . 10.6 tpp85 -139.79 142.51 36.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.616 -0.883 . . . . 1.0 108.616 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -84.35 111.24 19.25 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 1.0 110.025 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.14 160.58 36.74 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo . . . . . 0 C--N 1.309 -1.533 0 C-N-CA 122.654 2.236 . . . . 1.0 112.221 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo . . . . . 0 N--CA 1.482 0.828 0 N-CA-C 109.404 -1.037 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.89 -38.4 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.198 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 14.5 m -136.14 75.21 54.12 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.715 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.87 144.94 97.23 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.801 2.334 . . . . 1.0 111.897 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.6 141.48 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.586 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -106.01 158.21 15.71 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.11 -23.44 67.02 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.535 2.157 . . . . 1.0 112.104 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.5 -39.2 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.282 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 32.3 mm -64.74 -43.29 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.64 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.32 -41.49 98.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.97 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.36 -40.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.87 -43.64 98.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.117 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.24 -43.35 98.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 1.0 110.024 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.4 m -60.96 -42.05 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.54 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.62 -45.04 99.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.051 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.2 mtp -62.73 -41.1 99.01 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.259 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.98 97.36 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.58 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.27 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 44.4 mm -64.01 -41.98 94.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 111.518 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.75 -42.67 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.003 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.89 -41.52 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.115 0.484 . . . . 1.0 109.855 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.25 -43.13 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.794 0.806 . . . . 1.0 111.007 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.03 -42.04 99.65 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.032 -0.986 . . . . 1.0 111.382 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.31 -41.78 98.97 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.702 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.26 94.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.726 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.81 95.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 1.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.23 -41.42 99.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.274 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.14 -43.67 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.329 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.44 -45.8 92.35 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.184 -0.672 . . . . 1.0 109.184 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -40.54 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.585 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -42.29 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.445 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.85 -41.75 99.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.13 0.491 . . . . 1.0 110.394 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 119.751 -0.779 . . . . 1.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -63.7 -48.5 76.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 35.1 mm -63.57 -47.32 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.453 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -68.07 -43.06 79.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.892 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.541 ' CG ' HH12 ' A' ' 995' ' ' ARG . 64.7 t0 -62.77 -40.84 98.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 1.0 110.439 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 64.45 57.81 1.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . 0.525 ' O ' ' CE2' ' B' ' 727' ' ' PHE . 88.8 tttt -62.51 -44.57 96.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.402 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.18 138.38 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' B' ' 725' ' ' LYS . 96.3 m-85 . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 117.832 -1.08 . . . . 1.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.82 88.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 1.0 110.66 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.46 141.92 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -132.4 146.03 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.318 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.69 -40.92 92.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -102.93 131.93 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.647 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -107.98 -19.89 13.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.807 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 1.6 pt -136.71 79.57 39.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.755 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -60.34 144.17 99.5 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.308 2.005 . . . . 1.0 112.464 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.8 tt -67.95 -24.2 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.803 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.26 -36.98 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.527 -177.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -58.51 -43.62 89.17 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.374 -0.531 . . . . 1.0 110.51 -179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.01 -43.27 96.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.082 0.468 . . . . 1.0 110.382 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.06 -41.14 97.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.8 -45.18 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.339 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.64 92.26 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.91 -44.77 99.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.484 0.183 . . . . 1.0 111.301 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.37 -40.98 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.6 -41.51 99.59 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.512 -1.035 . . . . 1.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -64.66 -38.22 95.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 1.0 110.267 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.19 -41.04 97.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.373 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.66 -44.29 97.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.864 -0.334 . . . . 1.0 111.135 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.82 -42.17 97.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.905 0.383 . . . . 1.0 110.358 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 91.9 m -62.31 -45.25 94.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.139 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.5 -43.75 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.863 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.51 -43.25 99.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 1.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.82 -44.59 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.627 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.4 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.106 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.86 98.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.586 -0.446 . . . . 1.0 111.106 -179.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.6 mtp -65.8 -39.99 91.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.217 0.532 . . . . 1.0 110.519 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.453 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.7 t90 -65.41 -40.37 93.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.423 0.63 . . . . 1.0 110.217 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -11.16 60.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.466 -179.149 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.3 t -88.26 -16.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.055 0.455 . . . . 1.0 110.109 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 84.27 10.59 79.92 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.439 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 3.9 t80 -61.22 -42.75 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.984 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 67.2 m-85 -86.93 -2.15 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.6 tttt -114.73 130.92 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.9 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.571 HH12 ' CD1' ' B' ' 719' ' ' ILE . 94.6 mtm-85 -131.59 152.97 50.37 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.85 -0.796 . . . . 1.0 108.85 179.684 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -84.0 111.69 19.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.487 -0.885 . . . . 1.0 109.901 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.3 148.7 39.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.108 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 N--CA 1.494 1.536 0 C-N-CA 122.069 1.846 . . . . 1.0 112.027 179.92 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 109.419 -1.031 . . . . 1.0 109.419 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -113.81 125.91 54.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 9.2 t -177.89 72.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -61.64 145.47 97.57 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.751 2.3 . . . . 1.0 111.926 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -113.57 145.52 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.506 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 122.04 78.21 0.46 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -61.51 144.66 98.06 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.793 2.329 . . . . 1.0 112.411 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -40.55 97.7 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.808 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 21.1 tt -65.71 -39.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.019 0.437 . . . . 1.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.61 -42.83 99.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.462 -178.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.37 -46.98 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.797 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 23.1 m -66.25 -39.95 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.047 -0.261 . . . . 1.0 110.95 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.56 -43.33 99.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.19 -41.03 97.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.599 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -44.01 97.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 112.054 -178.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.5 m -65.86 -41.05 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 119.666 -0.814 . . . . 1.0 110.487 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -63.41 -40.51 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 -179.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.82 -34.22 86.58 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 111.699 -0.56 . . . . 1.0 111.699 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.67 98.31 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.771 -0.772 . . . . 1.0 109.524 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.99 -43.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.454 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.47 -43.57 96.79 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.621 -0.832 . . . . 1.0 110.79 -178.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.84 -39.15 93.54 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.621 0.724 . . . . 1.0 110.158 179.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 86.8 mt -66.79 -43.54 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.877 0.846 . . . . 1.0 111.608 179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.88 -44.36 97.55 Favored Glycine 0 N--CA 1.474 1.214 0 N-CA-C 109.806 -1.317 . . . . 1.0 109.806 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.77 -42.86 97.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.481 . . . . 1.0 110.1 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.9 95.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.035 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.44 94.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.591 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' B' ' 712' ' ' LEU . 7.7 tt -62.63 -43.34 99.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.466 -0.333 . . . . 1.0 110.316 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.86 -42.95 99.95 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.662 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.63 -43.85 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.597 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.1 -44.95 96.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.486 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.1 OUTLIER -60.55 -46.66 89.38 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.203 -1.036 . . . . 1.0 108.203 179.831 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.89 -40.71 97.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.397 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.08 -44.27 97.04 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.616 0.599 . . . . 1.0 112.616 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.571 ' CD1' HH12 ' A' ' 995' ' ' ARG . 13.8 tt -68.27 -42.56 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 118.78 -1.168 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 720' ' ' THR . . . . . 0.486 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 19.7 m -65.17 -48.7 72.56 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 -179.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.58 -45.14 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . 0.5 ' CE1' ' OD1' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.87 -41.4 82.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.899 179.65 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.55 ' OD2' ' NH1' ' A' ' 995' ' ' ARG . 51.3 m-20 -61.97 -41.42 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.383 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.8 -40.02 94.55 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.851 0.358 . . . . 1.0 110.685 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 18.4 tttp 49.23 31.0 3.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.01 30.25 7.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.686 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.982 -1.008 . . . . 1.0 110.528 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 966' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 970' ' ' LEU . 96.1 mt . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 111.319 0.118 . . . . 2.64 111.319 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -67.61 -48.86 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.383 -0.927 . . . . 1.87 110.345 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.629 ' CG ' HD11 ' B' ' 693' ' ' ILE . 81.2 m95 -61.82 -37.76 85.64 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.131 -0.94 . . . . 1.38 110.626 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.4 t -62.38 -43.77 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.085 -0.709 . . . . 1.41 109.085 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 966' ' ' ILE . 6.4 mp -61.98 -40.73 96.62 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.869 -0.789 . . . . 1.99 108.869 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.59 -46.48 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.494 -0.558 . . . . 1.38 109.494 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.5 97.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.347 -1.101 . . . . 0.67 110.347 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 969' ' ' VAL . 54.2 t -63.72 -44.74 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.907 -0.405 . . . . 0.88 109.907 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.12 -44.07 97.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.028 0.442 . . . . 1.95 110.218 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.51 96.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.828 -0.909 . . . . 0.84 110.828 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.57 96.72 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.503 -1.039 . . . . 0.76 110.503 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.24 -40.79 97.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.171 -0.677 . . . . 1.99 109.171 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 7.9 tp -62.46 -40.7 97.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.158 -0.928 . . . . 1.84 110.622 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.956 -0.565 . . . . 1.84 110.484 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.02 110.627 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.5 m -61.4 -42.3 98.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.59 110.723 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.14 -44.51 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.917 -0.313 . . . . 1.14 111.481 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.65 -42.62 98.08 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.251 -0.58 . . . . 1.77 110.602 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.58 110.275 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.57 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.839 -0.619 . . . . 1.72 110.795 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.89 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.516 -0.311 . . . . 0.68 111.616 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 41.4 mtt -66.5 -39.25 88.6 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.639 -0.425 . . . . 1.98 110.721 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.435 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.8 t90 -59.36 -38.49 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.611 -0.436 . . . . 1.3 109.923 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -13.59 62.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.123 -0.49 . . . . 1.29 110.61 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 990' ' ' VAL . 72.6 t -91.59 -12.84 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.921 -0.4 . . . . 1.18 109.921 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.35 86.3 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.822 -1.311 . . . . 0.85 109.822 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.44 -39.85 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.201 -0.499 . . . . 2.52 110.743 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -92.47 -3.59 54.93 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.183 -0.462 . . . . 2.58 109.958 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.68 128.06 49.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.894 -0.593 . . . . 3.57 110.108 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 . . . . . 0 C--N 1.342 0.278 0 N-CA-C 109.661 -0.496 . . . . 2.03 109.661 179.433 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 CA--C 1.507 -0.681 0 N-CA-C 106.443 -1.688 . . . . 3.0 106.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.629 HD11 ' CG ' ' A' ' 968' ' ' TRP . 3.6 tt -57.57 -39.85 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 114.063 -1.426 . . . . 1.54 107.575 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.91 -47.5 77.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.271 -0.64 . . . . 1.88 109.271 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.23 -48.65 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 115.811 -0.631 . . . . 1.12 110.689 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.7 -44.88 93.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.443 -0.799 . . . . 1.08 110.407 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' B' ' 693' ' ' ILE . 59.0 tp -61.57 -43.8 98.2 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.31 -0.996 . . . . 1.21 108.31 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 31.4 mt -62.92 -44.54 95.81 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.223 -0.658 . . . . 1.95 109.223 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.5 m -63.98 -44.0 94.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.9 109.971 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.28 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.41 -0.589 . . . . 1.68 109.41 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.16 -42.07 99.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.741 -0.663 . . . . 1.05 110.479 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.59 -42.35 95.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.543 -0.623 . . . . 0.62 111.543 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.36 99.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.63 110.647 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.15 -42.14 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.164 -0.471 . . . . 1.62 110.753 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.99 -41.88 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 1.92 109.313 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.386 -0.598 . . . . 2.02 109.386 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.23 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.134 -0.485 . . . . 1.19 110.177 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.9 -46.55 94.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.277 -1.129 . . . . 0.47 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.61 -43.0 95.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.835 0.35 . . . . 1.38 110.898 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.65 98.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.39 . . . . 0.6 111.501 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.31 95.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.059 0.457 . . . . 0.6 110.206 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.72 -40.8 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.77 -0.65 . . . . 2.28 109.552 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 33.1 tp -62.5 -41.75 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 1.82 110.23 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.72 -43.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 1.19 110.155 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.52 -41.96 86.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.71 95.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.331 -0.849 . . . . 1.28 109.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -40.66 94.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 1.93 110.129 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.41 -43.86 98.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.637 -0.425 . . . . 1.98 110.486 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -41.48 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.185 -0.672 . . . . 1.27 109.185 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.5 m -59.07 -44.6 91.88 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.519 -0.472 . . . . 1.1 109.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.87 -46.65 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.198 -0.601 . . . . 1.83 110.061 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -64.96 -42.38 94.64 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.68 -0.408 . . . . 2.15 110.261 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.094 0.473 . . . . 1.86 110.086 179.627 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.3 mm . . . . . 0 N--CA 1.46 0.054 0 CA-C-O 120.692 0.282 . . . . 1.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.12 -36.81 68.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.42 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -59.37 -38.72 81.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.76 -44.35 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.715 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 970' ' ' LEU . 11.2 mp -62.21 -40.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.222 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.61 -45.29 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.55 -38.84 96.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.41 -44.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.61 0.243 . . . . 1.0 110.707 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.2 -42.95 99.76 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.673 -0.411 . . . . 1.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.65 -40.38 98.54 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.657 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.15 -37.85 95.14 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.834 -0.907 . . . . 1.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.68 -41.09 98.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 978' ' ' LEU . 89.8 mt -62.23 -39.87 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.589 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.859 HD13 HD21 ' B' ' 705' ' ' LEU . 87.8 mt -61.24 -44.29 97.5 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.819 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.8 tp -65.68 -42.9 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.046 0.451 . . . . 1.0 110.622 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 98.5 m -63.28 -46.73 85.47 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.736 -0.665 . . . . 1.0 112.708 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.0 tt -67.25 -41.21 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.142 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.6 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.1 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 980' ' ' LEU . 79.7 t -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.82 -43.01 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.314 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.7 98.24 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.593 -0.443 . . . . 1.0 111.109 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.2 mmm -65.89 -39.78 90.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.448 . . . . 1.0 110.688 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.496 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.2 t90 -64.5 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.379 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -12.49 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 110.593 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 78.2 t -87.19 -20.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.302 -0.559 . . . . 1.0 109.635 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 991' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.45 5.78 89.65 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.293 -1.123 . . . . 1.0 110.293 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 1.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 65.9 m-85 -89.24 -4.74 58.08 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.229 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 994' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -115.62 124.06 49.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.703 -0.481 . . . . 1.0 109.703 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.533 HH12 ' CG ' ' B' ' 723' ' ' ASP . 89.3 mtm180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.583 0.23 . . . . 1.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.429 HG23 ' N ' ' B' ' 694' ' ' LEU . 11.1 tp -65.43 -39.2 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.046 -0.353 . . . . 1.0 110.046 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.429 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.0 mt -62.69 -41.56 99.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.339 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.89 -44.72 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.94 -45.09 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.704 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -43.18 99.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.728 0.299 . . . . 1.0 110.532 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.67 -39.86 95.4 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.651 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.4 m -60.36 -42.34 95.57 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.444 0.64 . . . . 1.0 110.671 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.35 -45.81 92.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.19 -1.004 . . . . 1.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 97.2 mtp -63.46 -40.98 98.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.303 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.84 99.6 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.938 -0.649 . . . . 1.0 111.998 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.99 94.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 1.0 110.758 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.657 HG21 ' HA3' ' A' ' 976' ' ' GLY . 96.7 mt -64.69 -42.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.592 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 979' ' ' LEU . 35.7 mt -61.55 -41.84 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.19 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 1.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.05 -43.85 97.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.384 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.03 99.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.268 -1.133 . . . . 1.0 110.268 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.05 -42.18 99.66 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.5 84.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.798 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.51 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.529 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.69 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.683 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.44 -40.37 96.97 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.315 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.7 -42.87 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 1.0 110.384 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.445 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.7 t90 -59.98 -37.93 81.07 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.432 0.634 . . . . 1.0 110.0 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -45.03 88.14 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.72 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.97 -40.11 95.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.33 -44.45 96.46 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.351 0.501 . . . . 1.0 112.351 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.41 -37.62 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.022 0.439 . . . . 1.0 110.726 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.6 m -61.43 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.11 -44.64 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.951 -0.699 . . . . 1.0 110.842 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -61.73 -42.1 98.52 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.694 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.533 ' CG ' HH12 ' A' ' 995' ' ' ARG . 40.9 m-20 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.142 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.776 0.322 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 967' ' ' TRP . . . . . 0.535 ' O ' HG23 ' A' ' 971' ' ' VAL . 99.0 m95 -57.27 -38.97 74.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.591 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.73 -41.66 97.93 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.111 -0.636 . . . . 1.0 110.722 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 973' ' ' VAL . 55.3 t -64.21 -44.34 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.058 0.456 . . . . 1.0 110.109 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.4 -42.04 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 971' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 967' ' ' TRP . 66.3 t -61.91 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.421 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.66 98.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 969' ' ' VAL . 55.5 t -63.32 -44.74 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 1.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.27 -43.24 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.293 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -64.12 -34.9 91.16 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.47 -1.052 . . . . 1.0 110.47 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.03 88.74 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.97 -42.03 98.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 978' ' ' LEU . 4.1 mm? -62.49 -40.17 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.266 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.526 HD21 HD13 ' B' ' 705' ' ' LEU . 40.9 tp -60.95 -44.52 97.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.031 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.0 tp -63.81 -42.15 97.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.0 110.127 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.3 m -62.86 -45.07 94.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.825 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.35 -43.54 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.11 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.38 -0.528 . . . . 1.0 109.963 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 980' ' ' LEU . 74.7 t -64.47 -44.04 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.886 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.01 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.358 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.94 97.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.768 ' O ' HG22 ' A' ' 990' ' ' VAL . 94.8 mtp -65.62 -40.45 92.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 1.0 110.7 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.2 t90 -63.35 -38.66 92.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.47 . . . . 1.0 111.124 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -13.09 61.18 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 987' ' ' MET . 31.0 m -93.68 -3.11 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 119.723 -0.791 . . . . 1.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.2 80.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.363 -0.695 . . . . 1.0 111.363 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 992' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 3.3 t80 -61.43 -43.1 99.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.718 0.294 . . . . 1.0 111.64 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -88.0 -2.6 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.332 -0.547 . . . . 1.0 111.286 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -90.37 123.85 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.2 -0.666 . . . . 1.0 109.2 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.541 ' NH2' HG23 ' B' ' 719' ' ' ILE . 62.9 ttm-85 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.766 0.317 . . . . 1.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 693' ' ' ILE . 11.0 tp -64.7 -25.95 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.618 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.13 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.75 -44.42 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.461 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.76 -44.86 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.736 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.06 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.485 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.26 -41.72 99.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 1.0 110.429 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.3 m -60.27 -42.01 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.589 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.13 -46.25 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.77 -40.82 97.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.56 -41.05 99.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.628 -0.589 . . . . 1.0 111.628 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.024 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 979' ' ' LEU . 51.0 tp -60.88 -42.43 97.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.59 -43.65 98.28 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.401 -0.52 . . . . 1.0 109.978 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.17 -43.57 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.282 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.52 -45.23 96.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.5 -1.04 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 1.0 110.506 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.86 97.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.489 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.25 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.104 -0.639 . . . . 1.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.625 HD22 ' SD ' ' A' ' 987' ' ' MET . 95.7 mt -63.32 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.423 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.31 -42.79 99.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.669 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.32 -43.96 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.15 -42.13 94.23 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -42.04 97.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.56 -42.71 99.72 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.805 0.812 . . . . 1.0 110.626 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.541 HG23 ' NH2' ' A' ' 995' ' ' ARG . 71.5 mt -67.76 -42.5 86.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.937 178.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -62.26 -44.17 97.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.345 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.46 -42.02 86.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.684 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -67.7 -38.35 83.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.05 -0.66 . . . . 1.0 110.975 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 N--CA 1.465 0.323 0 C-N-CA 120.047 -0.661 . . . . 1.0 109.598 -179.541 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 112.486 0.55 . . . . 1.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -56.65 -38.92 72.85 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.646 -0.422 . . . . 1.0 111.776 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.472 ' CD1' HD12 ' B' ' 693' ' ' ILE . 96.4 m95 -60.79 -39.05 87.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 973' ' ' VAL . 53.1 t -63.07 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 1.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.72 -40.68 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -45.67 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.415 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.56 96.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.491 -1.043 . . . . 1.0 110.491 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.5 t -63.36 -44.11 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 1.0 110.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.82 -43.14 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.38 -32.78 85.31 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.522 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -61.61 -34.89 90.11 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.324 -0.71 . . . . 1.0 111.324 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.96 -40.62 96.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.112 0.482 . . . . 1.0 109.775 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.8 -40.97 97.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.618 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.39 -43.98 97.95 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.14 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 984' ' ' VAL . 52.4 tp -64.3 -42.43 96.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.138 0.494 . . . . 1.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.32 -44.95 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.503 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.1 -44.0 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.865 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.22 99.42 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.229 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 980' ' ' LEU . 68.4 t -64.31 -44.03 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.82 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.87 -42.63 99.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.16 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.429 -0.509 . . . . 1.0 111.332 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.18 -41.05 90.82 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -63.07 -38.55 91.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.43 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -11.53 46.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.92 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.93 -18.31 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.413 -0.515 . . . . 1.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.98 5.93 89.34 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.62 -42.35 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.637 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.456 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.3 m-85 -88.89 -4.17 58.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.9 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.74 124.88 35.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' B' ' 723' ' ' ASP . 42.5 ttm180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 692' ' ' ASP . . . . . 0.489 ' O ' HG23 ' B' ' 696' ' ' VAL . 99.2 m-20 . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.754 0.312 . . . . 1.0 110.793 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 968' ' ' TRP . 31.3 mm -63.91 -43.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.747 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.51 ' N ' HD12 ' B' ' 694' ' ' LEU . 11.0 mp -62.48 -42.31 99.4 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.523 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.1 -44.49 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.13 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 692' ' ' ASP . 69.8 t -62.72 -44.82 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -42.95 99.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.171 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.57 -43.29 99.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -61.03 -41.7 97.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.164 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.49 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.93 -40.96 99.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.835 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.67 96.55 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.296 0.57 . . . . 1.0 110.656 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.522 HD13 ' HA3' ' A' ' 976' ' ' GLY . 78.4 mt -65.59 -43.49 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.912 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.169 -0.612 . . . . 1.0 109.971 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.23 -43.02 92.78 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.968 -0.693 . . . . 1.0 110.94 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.57 -43.27 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.009 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.79 -41.44 98.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.339 -1.104 . . . . 1.0 110.339 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.89 -41.59 97.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 1.0 110.168 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.7 92.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.469 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.96 96.24 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.405 -0.518 . . . . 1.0 109.985 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.15 -41.52 99.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.056 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.585 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.13 -43.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 1.0 110.208 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.456 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.49 -43.8 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.81 99.52 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.718 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.19 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.436 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.0 -43.66 98.18 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.58 -38.48 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 84.8 m -62.17 -44.41 96.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.979 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.84 -43.95 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.041 -0.264 . . . . 1.0 111.089 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -64.98 -40.7 95.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.624 -0.431 . . . . 1.0 110.368 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' A' ' 995' ' ' ARG . 54.0 m-20 . . . . . 0 C--N 1.331 -0.224 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 111.534 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 967' ' ' TRP . . . . . 0.413 ' O ' HG23 ' A' ' 971' ' ' VAL . 98.9 m95 -56.45 -37.98 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.581 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.58 -41.58 90.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 973' ' ' VAL . 53.7 t -64.71 -43.67 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.218 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.88 -41.89 98.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.421 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 971' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 967' ' ' TRP . 67.6 t -61.48 -45.38 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.7 95.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.3 t -63.13 -44.39 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.695 0.283 . . . . 1.0 110.569 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.1 -42.07 98.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.927 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.14 -28.04 70.0 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.544 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -61.17 -34.42 87.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 977' ' ' LEU . 11.1 mp -62.51 -40.85 98.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.24 -41.73 98.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.347 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 979' ' ' LEU . 7.2 tt -61.5 -44.29 97.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.941 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.8 tp -62.86 -41.26 99.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 1.0 110.188 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.46 -43.86 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 112.068 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.61 -44.67 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.407 -0.517 . . . . 1.0 111.648 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.67 -40.89 97.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.817 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 980' ' ' LEU . 69.5 t -61.91 -44.65 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.846 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.53 -41.91 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.032 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.3 -41.3 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.62 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.47 -37.57 85.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.548 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.619 ' NE1' ' NZ ' ' A' ' 994' ' ' LYS . 11.7 t90 -57.76 -39.27 77.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.007 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -12.17 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 986' ' ' ALA . 97.8 t -90.55 -3.56 10.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.629 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.38 66.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.744 -0.542 . . . . 1.0 111.744 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 992' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 992' ' ' PHE . 4.0 t80 -61.02 -42.61 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 1.0 110.901 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -92.4 0.93 57.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.632 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 994' ' ' LYS . . . . . 0.619 ' NZ ' ' NE1' ' A' ' 988' ' ' TRP . 64.8 mttp -102.77 124.59 48.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.172 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.618 HH21 ' CG2' ' B' ' 719' ' ' ILE . 56.3 ttm-85 . . . . . 0 N--CA 1.45 -0.475 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 692' ' ' ASP . . . . . 0.501 ' O ' HG23 ' B' ' 696' ' ' VAL . 54.9 m-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.899 0.381 . . . . 1.0 110.6 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 31.5 mm -63.66 -44.0 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.657 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.461 HD12 ' N ' ' B' ' 694' ' ' LEU . 11.2 mp -64.01 -39.86 95.04 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.726 0.774 . . . . 1.0 109.856 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.26 -44.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.461 0.648 . . . . 1.0 109.799 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 692' ' ' ASP . 72.5 t -62.81 -43.89 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.228 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.25 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.752 0.31 . . . . 1.0 110.442 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.18 -42.05 99.31 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.9 m -61.46 -42.53 98.92 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.735 0.779 . . . . 1.0 109.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 700' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 696' ' ' VAL . 74.2 t -62.94 -43.74 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.958 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.29 -40.61 97.83 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.902 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.45 Favored Glycine 0 CA--C 1.537 1.423 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.17 96.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.371 0.605 . . . . 1.0 109.826 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.544 HD13 ' HA3' ' A' ' 976' ' ' GLY . 92.9 mt -63.29 -43.38 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.486 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.289 -0.564 . . . . 1.0 110.735 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.47 -42.81 98.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 1.0 110.635 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.47 -43.93 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.331 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.97 98.4 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.53 -42.43 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.794 0.331 . . . . 1.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.362 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.0 97.14 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.548 -0.461 . . . . 1.0 110.599 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.66 -41.96 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.645 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.95 -41.9 99.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.519 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.17 -44.08 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.631 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -63.27 -41.79 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 1.0 108.965 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -41.32 94.74 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.275 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.8 -40.99 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.761 -0.375 . . . . 1.0 110.499 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.69 -42.29 99.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.031 0.443 . . . . 1.0 110.696 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.618 ' CG2' HH21 ' A' ' 995' ' ' ARG . 91.7 mt -65.0 -40.45 89.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.944 0.878 . . . . 1.0 109.33 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 85.9 m -61.02 -43.3 99.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 119.625 -0.83 . . . . 1.0 110.032 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.14 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -68.47 -39.27 81.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.657 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 68.5 t0 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.99 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.213 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.502 ' CD1' HD11 ' B' ' 693' ' ' ILE . 98.9 m95 -60.71 -39.12 87.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 973' ' ' VAL . 73.2 t -63.6 -44.02 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.36 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.27 -41.41 98.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.18 -44.8 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.62 93.64 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.631 -0.987 . . . . 1.0 110.631 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 969' ' ' VAL . 60.0 t -62.87 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 1.0 110.165 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.69 -41.31 99.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 1.0 109.831 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.48 90.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.96 -40.92 99.11 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.82 -41.87 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.426 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.5 tp -64.89 -41.71 95.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 1.0 109.566 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.1 m -63.07 -44.7 95.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.909 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.55 -44.37 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.033 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.06 -40.38 97.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.468 0.652 . . . . 1.0 110.43 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 980' ' ' LEU . 57.8 t -68.09 -43.32 85.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 122.114 0.959 . . . . 1.0 110.976 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.42 -42.66 92.34 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.998 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.92 -42.95 94.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.926 -1.509 . . . . 1.0 111.504 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.27 -38.64 85.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.821 0.82 . . . . 1.0 110.797 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.492 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -62.41 -37.19 84.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.372 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -12.21 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.47 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.44 -19.22 7.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.149 0.5 . . . . 1.0 109.754 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.18 6.18 89.02 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.424 -1.071 . . . . 1.0 110.424 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.72 -42.52 99.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 57.4 m-85 -89.89 -3.04 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.408 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -97.41 123.65 41.32 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.08 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.541 HH22 ' CG ' ' B' ' 723' ' ' ASP . 95.4 mtt180 . . . . . 0 C--N 1.329 -0.312 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.456 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 968' ' ' TRP . 20.5 tt -65.72 -26.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.479 ' O ' HD13 ' B' ' 698' ' ' LEU . 54.9 tp -62.02 -43.47 98.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.044 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.68 -43.6 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 1.0 109.658 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.33 -43.53 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.809 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.28 97.61 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.803 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 698' ' ' LEU . . . . . 0.479 HD13 ' O ' ' B' ' 694' ' ' LEU . 8.4 mp -64.1 -41.91 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.312 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.3 m -60.81 -45.27 95.1 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.37 -37.45 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.77 -41.03 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.66 97.78 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.568 -1.013 . . . . 1.0 110.568 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.828 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.16 -43.67 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.136 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.91 -41.8 99.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.028 0.442 . . . . 1.0 109.847 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.997 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.06 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.945 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.61 -40.31 98.98 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.165 -1.174 . . . . 1.0 110.165 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.17 -42.09 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 1.0 110.481 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.75 90.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.475 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.1 96.29 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 119.956 -0.698 . . . . 1.0 110.197 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.157 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.69 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.55 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.43 -43.96 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-O 121.304 0.573 . . . . 1.0 110.07 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.8 t90 -60.8 -42.44 97.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.91 91.53 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.907 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.13 -40.68 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.542 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.94 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.317 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.7 m -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.43 -43.35 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.029 0.442 . . . . 1.0 110.507 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -64.44 -38.36 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.541 ' CG ' HH22 ' A' ' 995' ' ' ARG . 47.0 m-20 . . . . . 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.778 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.233 0.205 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 967' ' ' TRP . . . . . 0.453 ' O ' HG23 ' A' ' 971' ' ' VAL . 95.3 m95 -57.33 -39.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.564 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -61.45 -40.74 95.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.905 -0.718 . . . . 1.0 110.425 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.523 HG13 HG21 ' B' ' 700' ' ' VAL . 53.2 t -64.43 -43.8 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.49 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.46 -41.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.55 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 971' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 967' ' ' TRP . 64.9 t -61.59 -45.55 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.678 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.28 98.9 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.87 -44.79 99.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 1.0 110.457 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 1.0 109.968 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.89 -23.44 63.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.93 91.37 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.5 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.86 -40.83 98.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.69 -42.69 99.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.896 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.5 tp -63.91 -42.05 97.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.482 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 16.0 m -62.85 -41.73 99.47 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.397 -0.819 . . . . 1.0 111.67 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.0 -44.78 99.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 119.56 -0.856 . . . . 1.0 110.898 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -41.72 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.48 . . . . 1.0 110.223 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 980' ' ' LEU . 77.7 t -62.2 -43.35 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.494 -0.775 . . . . 1.0 111.019 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.629 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.26 96.23 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.434 -0.507 . . . . 1.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 74.9 mtm -65.69 -40.4 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 111.284 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.0 t90 -60.1 -37.89 81.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.349 0.595 . . . . 1.0 110.028 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -36.02 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 1.0 111.567 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 992' ' ' PHE . 10.2 m -89.59 -15.04 8.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.823 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 991' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 75.98 7.73 84.31 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 992' ' ' PHE . . . . . 0.515 ' H ' HG23 ' A' ' 990' ' ' VAL . 3.7 t80 -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.981 -0.288 . . . . 1.0 110.845 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 32.8 m-85 -97.41 -4.17 38.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.764 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 994' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.1 mttt -134.19 144.89 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 1.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 95.9 mtt180 . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.495 0.188 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.447 HG23 ' N ' ' B' ' 694' ' ' LEU . 19.6 tt -66.05 -39.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.031 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.447 ' N ' HG23 ' B' ' 693' ' ' ILE . 88.1 mt -62.22 -41.82 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.139 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.87 -45.09 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.505 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.89 -42.39 99.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.182 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.23 -43.09 99.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.2 m -60.85 -41.79 96.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.193 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 700' ' ' VAL . . . . . 0.523 HG21 HG13 ' A' ' 969' ' ' VAL . 49.9 t -62.73 -44.77 99.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.35 -41.41 98.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.949 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.69 96.66 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.737 -0.744 . . . . 1.0 111.323 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.39 93.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 1.0 111.276 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.62 -44.09 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.519 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.13 -41.68 99.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.224 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.412 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.52 -43.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.948 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.18 99.15 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.83 -41.55 99.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.856 0.36 . . . . 1.0 110.766 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.98 84.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.835 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.62 97.9 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.66 -39.99 95.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.49 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.3 -42.7 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.287 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.43 -43.62 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.61 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.369 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -41.43 97.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.134 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -42.95 98.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.99 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.09 -44.02 96.88 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.1 tt -68.49 -38.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.417 -0.513 . . . . 1.0 110.67 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.0 m -61.58 -44.13 97.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.944 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.04 -43.57 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.799 -0.361 . . . . 1.0 111.173 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.24 -39.4 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.677 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 70.1 m-20 . . . . . 0 N--CA 1.466 0.331 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.779 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.623 0.249 . . . . 1.0 111.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.95 -41.86 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.842 -0.343 . . . . 1.0 111.039 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.64 -40.83 98.25 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.631 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.21 -44.12 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.816 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.97 -41.2 97.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.523 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.9 -44.91 99.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -41.32 99.72 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.181 -0.768 . . . . 1.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.81 -44.14 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.953 -0.299 . . . . 1.0 110.44 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.93 -42.68 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.468 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.97 -40.7 99.63 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.598 ' C ' HG21 ' B' ' 704' ' ' ILE . . . -63.97 -39.89 97.73 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.16 -40.44 97.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 1.0 110.217 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -41.73 97.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.294 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.704 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.9 tt -61.47 -44.61 96.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.354 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 984' ' ' VAL . 53.9 tp -63.44 -42.8 98.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.531 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.77 -45.25 93.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.624 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 1.0 111.197 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.95 -43.4 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 1.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 980' ' ' LEU . 71.5 t -64.45 -44.23 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.272 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -61.7 -44.69 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.719 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.3 mtt -64.87 -41.05 95.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 1.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.449 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.7 t90 -62.37 -40.6 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.267 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -11.74 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.037 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.7 t -89.09 -16.71 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 1.0 110.163 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.55 11.58 81.65 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.069 -1.212 . . . . 1.0 110.069 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.54 -42.49 98.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.287 -0.456 . . . . 1.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 59.9 m-85 -98.64 -0.93 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.039 0.385 . . . . 1.0 112.039 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -112.13 129.82 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 1.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.587 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.6 mtt180 . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 108.813 -0.81 . . . . 1.0 108.813 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 692' ' ' ASP . . . . . 0.4 ' O ' HG22 ' B' ' 695' ' ' VAL . 98.6 m-20 . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 120.871 0.367 . . . . 1.0 110.796 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.6 -26.02 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.383 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.895 0.331 . . . . 1.0 111.895 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 695' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' B' ' 696' ' ' VAL . 1.9 m -64.2 -40.85 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.201 -0.6 . . . . 1.0 110.161 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.435 ' N ' ' CG2' ' B' ' 695' ' ' VAL . 68.3 t -62.97 -44.49 99.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.02 -42.99 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.057 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.0 -42.09 99.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.905 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -60.2 -41.37 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.46 -46.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.564 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.542 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.47 -39.5 96.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.498 -0.641 . . . . 1.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.02 99.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.986 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.598 HG21 ' C ' ' A' ' 976' ' ' GLY . 33.1 mm -64.12 -43.27 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 1.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.68 -42.09 98.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.346 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.28 -41.86 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.69 -43.43 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.0 109.837 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.24 99.32 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.353 -1.099 . . . . 1.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.92 -42.47 99.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 1.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.98 93.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.083 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.85 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.309 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.3 -42.85 99.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.52 -43.72 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 1.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.89 -43.07 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.53 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.81 97.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.905 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.98 -42.71 99.91 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.294 -0.563 . . . . 1.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.7 -45.16 94.04 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.83 -38.36 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.781 -0.768 . . . . 1.0 110.279 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.0 m -58.41 -41.93 86.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.904 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.99 -41.86 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.732 0.777 . . . . 1.0 110.029 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -70.73 -34.81 72.27 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.587 ' CG ' HH12 ' A' ' 995' ' ' ARG . 67.5 t0 . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.751 -1.113 . . . . 1.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.089 0.471 . . . . 1.0 110.661 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.15 -36.73 71.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.492 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.726 ' CD1' HD11 ' B' ' 693' ' ' ILE . 97.0 m95 -57.9 -40.75 81.08 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.746 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 973' ' ' VAL . 55.4 t -66.08 -42.95 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.953 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.82 -42.74 99.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 1.0 112.331 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.5 -41.49 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.928 -0.709 . . . . 1.0 110.238 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.22 95.66 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.136 -1.186 . . . . 1.0 110.136 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 969' ' ' VAL . 67.6 t -63.44 -44.45 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 1.0 110.5 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.58 -41.54 99.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.35 -38.35 95.56 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.95 95.71 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.214 -1.154 . . . . 1.0 110.214 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.87 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 1.0 110.345 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -40.36 96.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.621 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.727 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.5 tt -60.74 -45.38 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.465 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.2 tp -63.95 -42.31 97.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 1.0 110.104 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 81.6 m -62.46 -44.48 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.443 -0.798 . . . . 1.0 112.227 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.94 -44.12 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.714 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.3 -42.03 99.01 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.149 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 980' ' ' LEU . 74.8 t -64.3 -44.36 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.189 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.403 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -65.25 -42.4 93.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.146 -0.622 . . . . 1.0 110.472 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.04 -40.83 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.779 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.6 t90 -61.77 -41.19 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.414 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -13.87 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.053 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.3 t -90.61 -17.49 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.363 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 8.31 77.69 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.76 -42.46 99.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 1.0 110.54 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.434 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 41.8 m-85 -88.09 -2.55 58.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.401 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.42 129.1 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' B' ' 723' ' ' ASP . 59.5 ttt85 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 692' ' ' ASP . . . . . 0.43 ' O ' HG23 ' B' ' 696' ' ' VAL . 94.4 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.59 0.233 . . . . 1.0 111.168 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.726 HD11 ' CD1' ' A' ' 968' ' ' TRP . 20.7 tt -65.97 -40.9 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.886 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.48 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.0 mt -62.53 -42.19 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.176 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.79 -44.36 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 692' ' ' ASP . 69.8 t -62.85 -44.44 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.95 -43.24 99.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.858 0.361 . . . . 1.0 110.472 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.88 -41.5 97.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.066 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.8 m -60.33 -44.53 95.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.249 0.463 . . . . 1.0 112.249 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -65.36 -41.55 91.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.727 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.74 -40.85 97.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.53 99.28 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.54 -0.624 . . . . 1.0 111.54 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.62 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.955 0.407 . . . . 1.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.98 -43.34 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.16 -41.84 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.62 -43.71 98.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.93 -43.96 98.71 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.383 -1.087 . . . . 1.0 110.383 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.91 -41.89 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.093 0.473 . . . . 1.0 110.849 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.7 94.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.908 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.44 97.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 1.0 110.453 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.08 -41.62 97.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.505 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.83 -45.32 94.33 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 121.956 0.884 . . . . 1.0 109.792 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.176 -1.41 . . . . 1.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.434 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.54 -42.64 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.28 92.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.146 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.87 -39.87 95.75 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.567 -0.453 . . . . 1.0 111.031 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.88 -42.47 99.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.977 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.68 -43.64 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 121.295 0.569 . . . . 1.0 110.388 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 11.9 m -61.74 -42.61 99.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.686 1.231 . . . . 1.0 110.782 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.2 -44.02 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 118.511 -1.276 . . . . 1.0 111.253 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -65.55 -40.86 93.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.98 -0.688 . . . . 1.0 109.815 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 42.4 m-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.114 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 119.773 -0.156 . . . . 1.0 111.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 967' ' ' TRP . . . . . 0.568 ' O ' HG23 ' A' ' 971' ' ' VAL . 94.0 m95 -60.88 -38.56 86.06 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 122.056 0.931 . . . . 1.0 111.217 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.08 -46.29 81.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 120.0 -0.68 . . . . 1.0 112.565 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.36 -37.71 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 119.675 -0.81 . . . . 1.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.863 0.363 . . . . 1.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 971' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 967' ' ' TRP . 67.9 t -62.14 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.691 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.26 97.31 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.3 -44.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.0 110.354 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.47 -42.15 99.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.143 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.84 98.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.11 -40.37 99.11 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.413 -1.075 . . . . 1.0 110.413 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 1.0 110.033 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.08 -42.03 98.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 979' ' ' LEU . 2.7 tm? -61.27 -44.13 97.73 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.3 tp -63.13 -41.85 99.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.135 0.493 . . . . 1.0 110.262 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.3 m -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.961 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -44.62 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.404 -0.518 . . . . 1.0 111.732 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.53 -34.71 78.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.344 1.545 . . . . 1.0 110.577 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 980' ' ' LEU . 55.2 t -66.9 -44.43 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 119.026 -1.069 . . . . 1.0 110.777 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.77 -40.07 96.12 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 122.603 1.192 . . . . 1.0 109.569 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -64.0 -39.58 94.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 119.052 -1.059 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.561 ' CE ' HD13 ' B' ' 712' ' ' LEU . 57.8 mtt -64.0 -40.84 97.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.492 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 988' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.9 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -11.72 60.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.138 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 986' ' ' ALA . 36.8 t -90.31 -15.77 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.095 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 991' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 85.05 12.5 73.83 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 992' ' ' PHE . . . . . 0.41 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 4.5 t80 -61.3 -42.26 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.969 -0.292 . . . . 1.0 110.625 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.443 ' CD1' ' CZ2' ' B' ' 715' ' ' TRP . 14.8 m-85 -87.97 -1.54 58.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.268 -0.573 . . . . 1.0 110.456 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 994' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -114.03 130.83 56.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.635 ' NH1' HG23 ' B' ' 719' ' ' ILE . 85.3 mtp180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.66 0.267 . . . . 1.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.441 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.4 tt -66.24 -39.52 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.441 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.3 mt -62.07 -41.87 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.145 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.88 -44.62 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.33 -43.73 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.43 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.53 -43.83 98.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.449 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.1 -41.2 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.139 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 64.3 m -60.24 -44.53 95.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 1.0 112.061 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 17.2 m -65.71 -40.96 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.631 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.51 -40.78 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 1.0 110.402 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.93 -40.74 98.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.56 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.508 HG21 ' HA3' ' A' ' 976' ' ' GLY . 94.1 mt -63.74 -43.4 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.406 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.01 -42.9 99.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.04 -42.05 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.231 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.51 -43.73 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.977 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.23 99.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.494 -1.042 . . . . 1.0 110.494 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.19 -42.55 99.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.379 . . . . 1.0 110.223 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.87 81.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.572 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.27 85.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.561 HD13 ' CE ' ' A' ' 987' ' ' MET . 50.9 tp -62.2 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.25 -41.66 99.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.085 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.15 -43.78 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.819 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 993' ' ' PHE . 2.0 t90 -59.51 -43.92 93.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.196 0.522 . . . . 1.0 109.665 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.33 98.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 1.0 110.139 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.79 -39.76 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.143 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.67 -42.62 99.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.122 -0.631 . . . . 1.0 111.298 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.635 HG23 ' NH1' ' A' ' 995' ' ' ARG . 90.7 mt -63.97 -43.85 97.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 120.391 -0.524 . . . . 1.0 109.895 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -61.63 -44.97 95.99 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 120.886 0.374 . . . . 1.0 111.248 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.62 -45.04 99.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.234 -0.986 . . . . 1.0 110.747 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -66.26 -39.65 89.6 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.857 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.549 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.4 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 1.0 110.792 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.9 pt . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 111.609 0.226 . . . . 1.0 111.609 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 967' ' ' TRP . . . . . 0.637 ' O ' HG23 ' A' ' 971' ' ' VAL . 77.9 m95 -61.92 -38.39 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.158 -0.617 . . . . 1.0 111.536 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.475 ' O ' HD13 ' B' ' 697' ' ' LEU . 98.0 m95 -60.66 -47.61 85.5 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.216 0.45 . . . . 1.0 112.216 -178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.29 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.275 -0.57 . . . . 1.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.93 -42.32 99.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.296 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 971' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 967' ' ' TRP . 71.8 t -62.89 -44.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.986 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.04 97.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.681 -0.568 . . . . 1.0 111.681 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.24 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.569 -0.452 . . . . 1.0 110.726 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.61 -40.72 97.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.627 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.29 98.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.585 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.63 -39.6 97.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.334 -1.107 . . . . 1.0 110.334 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.25 -40.94 98.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.049 0.452 . . . . 1.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.12 -41.28 98.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.811 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.3 tp -64.14 -42.47 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.676 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.0 m -62.7 -47.48 83.42 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.1 tt -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.147 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.02 -41.54 99.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 1.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 980' ' ' LEU . 64.5 t -62.08 -44.73 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.016 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.51 -42.03 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.96 -40.93 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.639 -0.425 . . . . 1.0 110.661 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.713 ' SD ' HD22 ' B' ' 712' ' ' LEU . 66.5 mtt -66.42 -38.16 86.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.908 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.448 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.8 t90 -58.21 -40.39 81.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 1.0 110.337 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -12.16 61.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 986' ' ' ALA . 58.8 t -91.26 -0.61 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.004 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 991' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 89.99 14.34 59.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 992' ' ' PHE . . . . . 0.447 ' CD2' ' CE2' ' A' ' 993' ' ' PHE . 3.3 t80 -60.76 -43.01 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.639 0.257 . . . . 1.0 111.005 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.447 ' CE2' ' CD2' ' A' ' 992' ' ' PHE . 55.2 m-85 -97.5 -4.09 38.63 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.453 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 994' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.0 mttt -131.53 139.56 49.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.474 . . . . 1.0 111.226 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.545 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 78.6 mtp85 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.45 -0.468 0 CA-C-O 120.831 0.348 . . . . 1.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 45.7 pt -67.05 -22.65 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.25 -43.48 97.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.816 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.11 -44.21 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.13 -45.14 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.851 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 968' ' ' TRP . 50.7 tp -61.97 -43.93 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.891 -0.324 . . . . 1.0 110.502 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.53 -43.35 97.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.8 m -60.84 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.87 -46.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.911 -0.316 . . . . 1.0 110.888 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 96.9 mtp -63.26 -43.09 98.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.428 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.71 -42.45 93.21 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.832 -0.699 . . . . 1.0 111.669 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.42 92.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.68 -0.408 . . . . 1.0 111.26 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.585 HG21 ' HA3' ' A' ' 976' ' ' GLY . 97.0 mt -64.52 -43.7 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.827 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.934 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.12 -43.58 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.86 -0.336 . . . . 1.0 110.898 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.388 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -64.1 -46.87 90.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.74 -43.04 97.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 111.229 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.5 97.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.789 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.8 -42.39 95.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.48 -0.488 . . . . 1.0 110.871 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.713 HD22 ' SD ' ' A' ' 987' ' ' MET . 88.3 mt -63.82 -42.17 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.045 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.0 -42.73 99.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.571 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.48 -43.99 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.328 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -63.66 -46.02 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.395 0.617 . . . . 1.0 109.91 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.02 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 1.0 109.768 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.019 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.38 -42.79 99.69 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.042 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.36 -44.14 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.06 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.9 m -58.78 -43.33 90.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.184 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.74 -44.43 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.978 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -65.69 -39.72 91.58 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.755 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.545 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 91.8 m-20 . . . . . 0 C--N 1.327 -0.393 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -59.83 -39.2 84.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.16 -40.44 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.547 HG13 HG21 ' B' ' 700' ' ' VAL . 51.8 t -64.03 -44.24 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.48 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.11 -41.49 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.301 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.46 -45.1 99.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.479 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.24 99.78 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.189 -0.764 . . . . 1.0 111.189 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.517 HG23 HG11 ' B' ' 700' ' ' VAL . 49.4 t -63.55 -44.49 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.0 110.551 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.4 -41.21 98.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 1.0 110.674 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.67 93.57 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.479 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.06 -42.88 99.75 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.35 -40.32 96.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.987 0.422 . . . . 1.0 109.981 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.8 -41.83 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.25 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.6 tt -61.36 -45.06 95.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 1.0 110.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.8 tp -64.49 -41.68 96.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.616 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 87.5 m -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.68 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 44.0 pt -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.202 -0.599 . . . . 1.0 111.544 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.79 -41.5 99.29 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.01 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 980' ' ' LEU . 70.3 t -62.64 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.51 -41.96 99.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.182 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.2 -41.11 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.346 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.6 t90 -61.36 -40.7 95.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.248 0.546 . . . . 1.0 109.818 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -11.69 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.208 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.5 t -89.49 -16.02 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.89 0.376 . . . . 1.0 110.213 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.64 10.6 72.82 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.23 -42.73 99.11 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.549 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.469 ' CE1' ' CE2' ' B' ' 715' ' ' TRP . 67.5 m-85 -87.45 -2.69 58.79 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.747 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.64 141.43 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.291 -0.563 . . . . 1.0 109.869 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.531 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 18.3 mmm180 . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.635 0.255 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.432 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.3 tt -65.27 -39.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.432 ' N ' HG23 ' B' ' 693' ' ' ILE . 91.4 mt -63.19 -41.09 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 1.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.72 -42.64 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.35 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.0 -44.53 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.75 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.65 -43.65 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.561 -0.456 . . . . 1.0 109.977 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.46 -41.46 98.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.881 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.9 m -60.42 -42.55 96.25 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.019 -0.273 . . . . 1.0 111.176 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 700' ' ' VAL . . . . . 0.547 HG21 HG13 ' A' ' 969' ' ' VAL . 89.3 t -63.56 -45.33 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.933 0.397 . . . . 1.0 110.074 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -62.35 -40.12 95.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.803 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -39.89 98.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 1.0 111.439 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.3 96.65 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.091 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.479 HG21 ' HA3' ' A' ' 976' ' ' GLY . 47.8 mm -65.96 -43.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 1.0 111.063 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.404 ' CD2' HD13 ' A' ' 979' ' ' LEU . 88.0 mt -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.773 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.54 -42.62 99.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.096 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -43.59 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.12 92.8 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.741 -0.742 . . . . 1.0 111.335 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.31 -39.24 93.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.362 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.04 99.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.865 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.67 94.64 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.734 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.65 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.469 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.15 -44.02 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.266 0.555 . . . . 1.0 109.529 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -44.75 92.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.78 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 97.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.738 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.63 -45.31 93.43 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.84 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.5 tt -68.67 -37.43 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.754 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.4 m -60.66 -42.1 96.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.164 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.68 -43.37 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.131 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -64.89 -37.69 88.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.686 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.531 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 68.1 m-20 . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 120.258 -0.577 . . . . 1.0 109.665 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.725 0.298 . . . . 1.0 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -58.96 -39.35 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.45 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.684 ' HB3' HD21 ' B' ' 697' ' ' LEU . 98.8 m95 -61.14 -39.16 89.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.481 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 973' ' ' VAL . 57.4 t -63.76 -43.94 98.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.381 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.75 -41.92 98.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.84 -44.99 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.431 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.05 94.15 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 969' ' ' VAL . 73.7 t -62.92 -44.7 99.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 1.0 110.453 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.64 -41.88 99.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.38 -39.61 97.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.746 -0.942 . . . . 1.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.528 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.2 -39.08 96.77 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.93 -40.51 97.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.981 0.419 . . . . 1.0 109.971 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.16 -41.51 98.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.707 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.5 tt -61.25 -44.39 97.33 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.341 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.53 -41.93 98.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.162 0.506 . . . . 1.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 76.0 m -61.94 -43.84 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.702 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.65 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.663 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.62 -41.35 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.534 -0.466 . . . . 1.0 111.157 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.85 -47.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.707 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.71 -41.44 98.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -61.08 -44.71 96.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.371 -0.532 . . . . 1.0 110.65 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.79 -40.34 91.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 1.0 110.122 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.44 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.0 t90 -62.81 -41.59 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.199 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -12.08 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.195 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.4 t -89.54 -18.24 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.84 11.21 81.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.84 -42.14 98.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.685 0.278 . . . . 1.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.52 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.7 m-85 -96.02 -0.51 50.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.895 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -111.13 129.89 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 1.0 110.466 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.57 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.3 mtt180 . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.847 0.356 . . . . 1.0 110.443 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.491 HG23 HD22 ' B' ' 694' ' ' LEU . 21.3 tt -64.72 -24.39 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.929 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.491 HD22 HG23 ' B' ' 693' ' ' ILE . 4.3 mm? -61.91 -42.12 98.72 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -64.01 -44.05 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.727 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.41 -44.5 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.684 HD21 ' HB3' ' A' ' 968' ' ' TRP . 36.6 mt -62.15 -42.52 99.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.599 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.46 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.0 m -61.51 -45.8 92.67 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.518 0.562 . . . . 1.0 112.518 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.252 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -63.24 -40.04 96.32 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.06 0.457 . . . . 1.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.86 -38.13 95.67 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.79 96.16 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.528 HG21 ' HA3' ' A' ' 976' ' ' GLY . 46.8 mm -61.79 -43.34 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.403 0.62 . . . . 1.0 110.471 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.417 HD21 HD13 ' A' ' 979' ' ' LEU . 91.3 mt -61.76 -39.84 93.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.542 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.23 -42.89 99.39 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.27 -42.31 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-O 122.187 0.994 . . . . 1.0 109.424 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.16 97.92 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.031 -1.628 . . . . 1.0 109.031 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.45 -42.67 98.65 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.461 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.24 93.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.69 94.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.3 -42.75 99.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.888 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.629 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.52 -43.89 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.52 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -62.39 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.806 0.812 . . . . 1.0 108.935 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.93 91.66 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.364 -0.835 . . . . 1.0 109.697 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.14 -42.41 99.47 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.015 -0.674 . . . . 1.0 111.042 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.01 -45.15 94.87 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.965 0.412 . . . . 1.0 111.834 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 993' ' ' PHE . 20.7 tt -68.5 -35.95 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.604 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 17.0 m -60.43 -44.82 95.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.562 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.72 99.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 120.051 -0.66 . . . . 1.0 110.241 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -67.29 -39.17 85.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.655 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.57 ' CG ' HH12 ' A' ' 995' ' ' ARG . 66.1 t0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.11 0.481 . . . . 1.0 110.569 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 966' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 967' ' ' TRP . 20.7 tt . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.68 0.276 . . . . 1.0 111.723 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 967' ' ' TRP . . . . . 0.484 ' N ' HG23 ' A' ' 966' ' ' ILE . 89.6 m95 -58.07 -38.34 76.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.45 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -60.5 -37.99 82.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.819 -0.353 . . . . 1.0 111.007 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 973' ' ' VAL . 54.4 t -62.64 -45.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.679 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 970' ' ' LEU . 11.3 mp -62.65 -41.05 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.391 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.86 -45.47 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.207 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.91 -38.36 95.98 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.579 -1.008 . . . . 1.0 110.579 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.8 t -63.17 -44.49 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 1.0 110.446 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.13 -42.87 99.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.28 -34.63 90.47 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.964 -1.254 . . . . 1.0 109.964 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.508 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -63.31 -37.21 94.5 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.41 -41.04 98.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.84 -40.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.265 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.03 -45.11 96.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.638 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.487 HD13 ' HA2' ' B' ' 708' ' ' GLY . 53.9 tp -64.53 -42.49 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.2 m -63.22 -45.54 91.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.67 -0.696 . . . . 1.0 111.178 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.36 -44.3 98.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 120.912 -0.315 . . . . 1.0 111.033 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.415 ' CD2' HD11 ' B' ' 712' ' ' LEU . 56.5 tp -63.04 -43.44 98.68 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.312 0.577 . . . . 1.0 110.457 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 980' ' ' LEU . 63.1 t -64.81 -41.01 91.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.184 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.02 -43.16 99.43 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.48 -0.888 . . . . 1.0 111.298 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.75 90.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.231 -0.588 . . . . 1.0 110.363 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.53 -41.22 93.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.806 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.0 t90 -60.8 -39.28 88.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.78 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -11.71 41.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.119 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -89.05 -20.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.381 -0.528 . . . . 1.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.64 2.07 87.58 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.01 -42.52 99.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 1.0 111.383 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -91.26 -3.56 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.394 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -111.37 125.67 54.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.903 0.383 . . . . 1.0 110.0 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.522 HH12 ' CG ' ' B' ' 723' ' ' ASP . 95.0 mtt180 . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.824 0.345 . . . . 1.0 110.242 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.75 -26.03 39.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.004 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.96 -41.04 97.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.059 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.88 -44.53 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.71 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.609 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -41.85 99.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.689 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.33 -42.19 98.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.091 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 59.2 m -60.8 -42.01 96.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.61 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.97 -41.46 99.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.89 -41.02 98.89 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.332 -0.707 . . . . 1.0 111.332 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.624 0.25 . . . . 1.0 111.336 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.508 HD13 ' HA3' ' A' ' 976' ' ' GLY . 87.2 mt -63.42 -44.24 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.02 -41.64 99.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.65 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.227 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.29 -43.98 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.202 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 708' ' ' GLY . . . . . 0.487 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -63.55 -42.51 98.85 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.492 -1.043 . . . . 1.0 110.492 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.7 -42.16 98.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 1.0 110.702 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.45 93.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.115 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.43 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.258 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 983' ' ' LEU . 92.8 mt -63.72 -41.32 98.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.505 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.27 -42.44 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.26 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.22 -43.81 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.244 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -62.17 -45.13 94.78 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.689 0.757 . . . . 1.0 109.302 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -38.86 92.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.69 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.69 -41.57 97.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.42 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.06 -44.13 97.35 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.683 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.437 HG23 ' CZ ' ' A' ' 995' ' ' ARG . 96.2 mt -65.25 -41.82 92.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.306 0 CA-C-O 122.4 1.095 . . . . 1.0 110.797 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 35.8 m -60.81 -44.88 96.29 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.894 -1.048 . . . . 1.0 111.774 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 721' ' ' ILE . . . . . 0.41 HG13 ' N ' ' B' ' 722' ' ' HIS . 38.6 pt -63.88 -42.41 95.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.095 -1.042 . . . . 1.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 722' ' ' HIS . . . . . 0.41 ' N ' HG13 ' B' ' 721' ' ' ILE . 71.1 m80 -67.11 -38.25 85.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.464 -0.894 . . . . 1.0 111.097 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.522 ' CG ' HH12 ' A' ' 995' ' ' ARG . 54.2 m-20 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.005 0.431 . . . . 1.0 111.095 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -58.31 -38.93 78.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.871 -0.731 . . . . 1.0 110.259 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -61.05 -38.74 87.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.02 0.438 . . . . 1.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 973' ' ' VAL . 59.6 t -64.69 -43.78 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.702 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.936 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.85 -41.21 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.406 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.0 -38.67 96.36 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.5 t -62.41 -45.29 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 1.0 110.4 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.28 -42.6 99.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.297 -0.41 . . . . 1.0 109.962 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.52 76.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.2 -36.34 90.44 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 977' ' ' LEU . 11.3 mp -61.71 -38.65 88.65 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.134 0.493 . . . . 1.0 109.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.84 -39.13 90.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.81 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.405 HD21 HD21 ' B' ' 705' ' ' LEU . 31.3 tp -60.87 -45.91 92.69 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.174 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.521 HD13 ' HA2' ' B' ' 708' ' ' GLY . 54.0 tp -65.07 -41.7 94.82 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.927 -0.709 . . . . 1.0 109.854 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.9 m -61.57 -44.5 96.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.908 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -43.73 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.471 -0.492 . . . . 1.0 110.982 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.329 -0.548 . . . . 1.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 980' ' ' LEU . 62.8 t -64.23 -44.12 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.866 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.16 -42.54 99.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.329 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.83 99.75 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.725 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.76 -41.29 92.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.0 0.428 . . . . 1.0 110.741 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -62.32 -39.8 94.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.445 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -11.79 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.069 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.28 -19.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.516 -0.474 . . . . 1.0 110.138 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 81.53 6.32 89.26 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.362 -1.095 . . . . 1.0 110.362 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.64 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.823 0.344 . . . . 1.0 110.746 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.429 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 74.2 m-85 -95.58 0.65 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.169 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -88.07 130.99 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.209 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.521 HH22 ' CG ' ' B' ' 723' ' ' ASP . 28.2 mmt85 . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.524 0.194 . . . . 1.0 111.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.447 HG23 ' N ' ' B' ' 694' ' ' LEU . 19.5 tt -66.02 -40.36 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.447 ' N ' HG23 ' B' ' 693' ' ' ILE . 91.3 mt -62.54 -42.15 99.35 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.98 -44.83 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.125 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.6 -44.44 98.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.482 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.043 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -40.57 96.67 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.592 0.71 . . . . 1.0 109.791 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.7 m -62.94 -39.87 95.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.223 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.95 -45.31 99.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.27 -40.7 98.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.38 96.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.17 95.22 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.405 HD21 HD21 ' A' ' 979' ' ' LEU . 85.0 mt -64.16 -41.7 97.05 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.751 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.68 -44.11 97.08 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.809 -178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 21.4 tt -70.31 -39.95 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.851 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 708' ' ' GLY . . . . . 0.521 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -60.95 -43.25 99.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.25 -40.74 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 1.0 110.643 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.19 90.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.603 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.06 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.13 -42.09 99.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.332 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.05 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.83 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.42 -43.81 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 1.0 109.994 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.429 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 2.1 t90 -61.8 -45.02 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.784 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.68 -42.87 97.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.313 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.98 -45.1 94.03 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.52 HD11 ' NH2' ' A' ' 995' ' ' ARG . 21.0 tt -69.4 -38.5 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 96.2 m -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.396 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.41 -43.75 98.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 1.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -63.97 -38.8 92.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.712 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.0 m-20 . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.365 0.602 . . . . 1.0 109.94 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.4 pt . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 111.92 0.341 . . . . 1.0 111.92 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 967' ' ' TRP . . . . . 0.555 ' O ' HG23 ' A' ' 971' ' ' VAL . 87.1 m95 -62.15 -38.48 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.376 -0.53 . . . . 1.0 111.482 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.61 -47.62 84.61 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.354 0.501 . . . . 1.0 112.354 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.43 -35.84 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.036 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 971' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 967' ' ' TRP . 75.7 t -64.15 -43.76 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.088 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.14 98.56 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.143 -0.551 . . . . 1.0 112.539 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 16.8 m -65.12 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.589 0.694 . . . . 1.0 110.387 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.85 -41.44 99.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.22 -26.54 67.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -59.25 -40.65 96.13 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.54 -42.41 99.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.707 -0.397 . . . . 1.0 109.997 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 978' ' ' LEU . 11.0 mp -63.19 -41.39 99.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.61 -42.19 99.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.813 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 984' ' ' VAL . 45.9 tp -66.38 -39.99 89.43 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.184 1.468 . . . . 1.0 109.291 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 49.2 m -64.52 -44.22 91.55 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.269 -0.973 . . . . 1.0 111.552 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.14 -45.0 99.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.26 -41.59 99.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.284 0.564 . . . . 1.0 110.111 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 980' ' ' LEU . 68.8 t -64.36 -43.45 97.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.727 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.43 -43.64 98.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.911 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.64 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.7 -39.89 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 1.0 110.911 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.461 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.5 t90 -60.53 -39.7 88.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.336 0.588 . . . . 1.0 109.964 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -12.31 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.969 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 986' ' ' ALA . 79.9 t -91.16 -12.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 12.47 69.73 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.23 -42.79 99.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.441 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -87.86 -3.48 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.501 -0.479 . . . . 1.0 111.122 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -102.13 123.92 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.559 HH12 ' CG ' ' B' ' 723' ' ' ASP . 76.1 ttt180 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.061 0.458 . . . . 1.0 110.709 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.27 -26.65 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.553 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.52 -44.16 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.052 0.453 . . . . 1.0 110.024 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.77 -44.45 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.23 -43.58 98.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.15 -42.3 96.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.618 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.3 m -60.89 -44.76 96.68 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.65 -37.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.56 -0.456 . . . . 1.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.63 -40.87 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.613 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.27 97.41 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.73 92.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.728 0.299 . . . . 1.0 111.054 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.39 -43.48 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.272 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.25 -42.1 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.48 -43.63 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.11 99.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.88 -41.81 99.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 1.0 110.32 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.914 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 110.687 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.39 -40.91 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.096 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.48 -41.74 99.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.247 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.22 -44.0 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.46 -41.95 86.33 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.987 0.898 . . . . 1.0 109.152 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.458 ' CE ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -61.01 -41.53 96.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' B' ' 717' ' ' LEU . 89.5 mt -62.09 -39.86 93.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.599 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.22 -40.83 95.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 119.909 -0.716 . . . . 1.0 110.698 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.55 -42.77 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.389 0.614 . . . . 1.0 109.619 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 720' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' B' ' 716' ' ' LYS . 14.2 m -62.09 -43.44 98.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.592 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.9 -45.47 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.885 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -62.66 -38.65 91.16 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.047 0.451 . . . . 1.0 110.76 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.559 ' CG ' HH12 ' A' ' 995' ' ' ARG . 52.4 m-20 . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 120.346 -0.541 . . . . 1.0 109.592 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.4 pt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 111.482 0.179 . . . . 1.0 111.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -58.05 -38.08 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -62.03 -38.26 88.01 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.489 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 973' ' ' VAL . 44.0 t -62.63 -44.63 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -40.61 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.144 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.63 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.2 93.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 969' ' ' VAL . 72.5 t -62.61 -44.43 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 1.0 110.267 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -41.74 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.875 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.25 -37.41 94.83 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.117 -1.193 . . . . 1.0 110.117 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.603 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.04 -37.75 95.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.54 -41.81 99.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 978' ' ' LEU . 90.2 mt -62.51 -40.11 95.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.384 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.702 HD13 HD21 ' B' ' 705' ' ' LEU . 78.4 mt -61.15 -44.14 97.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.586 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.5 tp -64.01 -42.43 97.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.551 . . . . 1.0 110.002 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 89.0 m -62.56 -45.19 94.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.539 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.22 -44.24 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.313 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.4 -42.56 98.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.123 0.487 . . . . 1.0 109.988 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 980' ' ' LEU . 75.3 t -64.2 -43.99 97.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.23 -42.79 99.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.353 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.39 -43.26 99.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.181 -0.608 . . . . 1.0 110.851 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 96.8 mmm -64.65 -42.47 95.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.328 0.585 . . . . 1.0 110.608 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -63.68 -41.15 98.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 1.0 111.079 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -12.58 60.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.957 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 986' ' ' ALA . 36.0 t -89.4 -19.13 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.717 -0.475 . . . . 1.0 109.717 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.17 12.12 81.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 110.287 -1.125 . . . . 1.0 110.287 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -42.34 99.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.657 -1.238 . . . . 1.0 107.657 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -86.04 -3.34 58.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.677 -0.692 . . . . 1.0 111.614 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.68 124.37 34.54 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.448 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' B' ' 723' ' ' ASP . 80.1 mtp85 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 . . . . . 0 C--O 1.228 -0.064 0 CA-C-O 120.831 0.348 . . . . 1.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.454 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.9 tt -65.54 -38.89 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.5 tp -61.64 -43.01 99.65 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.111 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.5 -44.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.623 ' O ' HG13 ' B' ' 700' ' ' VAL . 73.7 t -64.12 -44.25 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.657 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.97 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.26 -42.47 99.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 63.8 m -61.3 -44.53 97.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 700' ' ' VAL . . . . . 0.623 HG13 ' O ' ' B' ' 696' ' ' VAL . 1.5 m -65.77 -41.97 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.735 -0.786 . . . . 1.0 110.12 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' B' ' 700' ' ' VAL . 94.1 mtp -63.49 -40.97 98.5 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.66 -41.35 99.07 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.218 -0.753 . . . . 1.0 111.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.6 94.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.314 0.578 . . . . 1.0 110.686 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.603 HG21 ' HA3' ' A' ' 976' ' ' GLY . 97.4 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.257 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 979' ' ' LEU . 71.3 mt -61.73 -41.34 97.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.729 -0.471 . . . . 1.0 109.729 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.01 -43.59 98.34 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.48 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.56 -46.08 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.726 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.36 98.88 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.127 -1.035 . . . . 1.0 110.978 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.72 -42.63 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.489 . . . . 1.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.04 95.52 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.738 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.99 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.549 -0.461 . . . . 1.0 110.816 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.68 -41.79 98.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.513 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.92 -42.41 99.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.44 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.38 -43.77 96.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.418 0.627 . . . . 1.0 109.332 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.51 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 1.0 109.693 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.12 -41.11 97.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.732 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.76 -36.39 83.73 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 122.134 0.969 . . . . 1.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' B' ' 723' ' ' ASP . 75.8 mt -69.52 -43.18 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.33 -1.348 . . . . 1.0 111.227 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -64.3 -48.14 76.79 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.4 mm -65.44 -48.43 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 119.42 -0.912 . . . . 1.0 111.576 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 722' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.9 -42.66 80.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.558 ' CG ' HH22 ' A' ' 995' ' ' ARG . 65.5 t0 . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.76 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 21.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.909 0.385 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -57.46 -36.32 71.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.422 ' CD1' HD13 ' B' ' 693' ' ' ILE . 98.4 m95 -56.92 -40.28 76.04 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.379 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 973' ' ' VAL . 50.5 t -66.49 -42.73 90.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.38 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.44 -42.62 99.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.824 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.1 m -64.18 -41.24 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.177 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.61 96.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.8 t -62.63 -44.72 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.96 0.409 . . . . 1.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.17 -42.59 99.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.51 94.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.4 94.69 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.89 -40.92 99.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.572 . . . . 1.0 109.499 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.915 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.495 HD21 HD13 ' B' ' 705' ' ' LEU . 44.3 tp -61.15 -45.29 95.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.95 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.96 -42.34 94.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 1.0 110.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.8 m -62.19 -45.68 92.29 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.767 -0.652 . . . . 1.0 112.639 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 42.3 pt -65.3 -41.59 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.215 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.42 -42.54 99.52 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.206 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.59 -44.0 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.408 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.44 -42.69 99.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.449 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.36 -41.56 98.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.014 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.4 mmm -65.66 -40.63 92.63 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -64.26 -39.74 94.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.495 0.664 . . . . 1.0 110.464 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -13.42 62.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.219 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 986' ' ' ALA . 83.9 t -87.16 -15.34 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.054 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.61 71.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 992' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 3.5 t80 -61.5 -42.66 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 1.0 111.52 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.481 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 62.4 m-85 -96.31 4.61 52.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.475 -0.49 . . . . 1.0 111.549 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.38 125.5 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.857 -0.423 . . . . 1.0 109.857 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.551 HH22 ' CG ' ' B' ' 723' ' ' ASP . 41.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 692' ' ' ASP . . . . . 0.528 ' O ' HG23 ' B' ' 696' ' ' VAL . 96.9 m-20 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.986 0.422 . . . . 1.0 110.624 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.422 HD13 ' CD1' ' A' ' 968' ' ' TRP . 93.5 mt -63.52 -43.21 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.985 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.91 -42.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.771 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 692' ' ' ASP . 71.1 t -63.45 -44.08 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.418 -0.81 . . . . 1.0 110.773 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.33 -43.42 98.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.779 -0.369 . . . . 1.0 110.076 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.2 -42.28 99.28 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 60.7 m -60.74 -41.92 96.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.578 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 700' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 696' ' ' VAL . 54.0 t -62.01 -46.67 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -63.95 -41.14 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.53 -41.59 94.08 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.187 -0.53 . . . . 1.0 111.807 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.45 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' B' ' 704' ' ' ILE . 5.9 tp -68.24 -39.6 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.955 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 979' ' ' LEU . 51.5 tp -62.82 -42.26 99.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 1.0 110.367 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.49 -42.77 99.72 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.71 -43.85 98.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.101 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.11 99.73 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.378 -1.089 . . . . 1.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.24 -42.43 99.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 1.0 110.407 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.06 85.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.26 89.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.903 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.22 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.391 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.623 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.3 -43.92 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.481 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.4 -44.2 97.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.141 -0.689 . . . . 1.0 109.141 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.97 85.58 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.07 0.938 . . . . 1.0 109.406 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.74 -43.21 94.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.921 -1.112 . . . . 1.0 110.753 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.4 -43.21 98.17 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 112.723 0.638 . . . . 1.0 112.723 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.36 -38.75 77.91 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 119.015 -1.074 . . . . 1.0 109.646 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.4 m -60.64 -42.51 97.09 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.23 0.538 . . . . 1.0 111.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.21 -42.29 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.837 -0.539 . . . . 1.0 110.631 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -67.6 -37.69 82.91 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.562 -0.711 . . . . 1.0 110.164 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH22 ' A' ' 995' ' ' ARG . 55.2 m-20 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 120.626 -0.429 . . . . 1.0 111.507 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 966' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 969' ' ' VAL . 45.4 pt . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 121.093 0.473 . . . . 1.0 110.834 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.71 -38.58 85.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.657 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -60.45 -46.96 88.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.0 p -68.51 -33.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.395 -0.522 . . . . 1.0 111.009 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.43 -43.88 97.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.385 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 18.9 m -65.54 -40.14 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.2 -40.31 98.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 969' ' ' VAL . 76.3 t -63.49 -44.52 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 1.0 110.264 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.43 -41.82 98.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.376 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.51 -40.58 98.89 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.31 -0.716 . . . . 1.0 111.31 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.472 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.89 -42.47 99.67 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.466 -1.054 . . . . 1.0 110.466 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.69 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.295 0.569 . . . . 1.0 110.096 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.44 -41.1 98.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.725 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.712 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.7 tt -61.06 -44.84 96.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.801 -0.36 . . . . 1.0 110.678 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.1 tp -63.18 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.086 0.469 . . . . 1.0 110.131 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.51 -44.64 95.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.605 -0.725 . . . . 1.0 112.325 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.09 -44.5 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.791 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.16 -41.86 99.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.413 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 980' ' ' LEU . 69.9 t -63.9 -44.38 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.36 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.457 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.28 96.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.485 -0.486 . . . . 1.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 66.7 mtt -65.96 -40.56 91.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 1.0 110.532 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.447 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.3 t90 -62.12 -39.57 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.398 0.618 . . . . 1.0 109.865 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -35.48 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.683 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.528 ' O ' HG12 ' A' ' 990' ' ' VAL . 48.5 t -86.49 -4.37 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.611 -0.435 . . . . 1.0 111.129 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 991' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.81 7.57 88.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.18 -41.56 98.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.937 0.399 . . . . 1.0 110.646 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 3.9 m-30 -87.27 -4.95 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.63 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 994' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 991' ' ' GLY . 75.5 mmtt -126.95 125.76 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.533 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 62.5 ttp180 . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.151 -0.685 . . . . 1.0 109.151 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.463 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.7 tt -65.34 -38.75 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.021 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.463 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.7 tp -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.337 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.624 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.83 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.598 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.23 -45.66 92.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.279 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.99 -41.79 95.1 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.188 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 78.1 p -62.08 -44.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.412 0.523 . . . . 1.0 112.412 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.7 -40.67 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 119.901 -0.72 . . . . 1.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.87 -41.15 97.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.303 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.66 96.5 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.63 99.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.961 0.41 . . . . 1.0 110.632 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.472 HG21 ' HA3' ' A' ' 976' ' ' GLY . 96.6 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.714 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.444 HD21 HD13 ' A' ' 979' ' ' LEU . 77.5 mt -64.23 -41.37 97.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.453 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.99 -42.03 99.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 46.4 pt -68.35 -40.32 82.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.02 99.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.24 -42.79 99.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 1.0 110.38 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.22 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.34 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.71 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.252 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -44.17 97.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.403 ' N ' HD12 ' B' ' 713' ' ' LEU . 11.1 mp -63.43 -41.42 98.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.2 -44.25 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.319 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.428 ' CE3' ' CE2' ' A' ' 993' ' ' PHE . 2.0 t90 -62.03 -44.53 96.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.174 -0.676 . . . . 1.0 109.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -39.12 91.34 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.287 0.565 . . . . 1.0 109.753 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.47 -40.01 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.834 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.77 -42.8 98.22 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.745 0.307 . . . . 1.0 110.215 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.65 -42.7 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.987 0.422 . . . . 1.0 110.408 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.0 m -61.09 -39.39 89.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -43.06 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.618 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -64.46 -41.5 96.49 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.252 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.533 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 55.1 m-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.708 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 111.723 0.268 . . . . 1.0 111.723 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -58.48 -39.97 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.09 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.5 ' CD1' HD12 ' B' ' 693' ' ' ILE . 98.1 m95 -63.4 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.59 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.88 -44.34 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.195 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -41.73 98.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.033 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.82 -44.92 99.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.32 -39.77 97.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.28 -44.27 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.961 0.41 . . . . 1.0 110.111 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -42.6 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.919 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.18 -34.14 89.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.657 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.09 -34.69 89.84 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.478 -1.049 . . . . 1.0 110.478 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.9 -40.49 95.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 1.0 110.156 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 978' ' ' LEU . 11.2 mp -62.15 -39.72 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.048 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.27 -43.85 98.2 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.971 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 984' ' ' VAL . 3.9 mm? -64.71 -39.84 94.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.774 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 96.6 m -62.06 -44.82 95.85 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.267 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.26 -44.63 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.503 -0.479 . . . . 1.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.05 -41.62 97.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.744 0.307 . . . . 1.0 110.346 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 980' ' ' LEU . 72.8 t -62.59 -44.54 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.895 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.4 -42.72 99.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.086 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.2 96.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.409 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 91.1 mmm -64.87 -41.62 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.313 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -63.04 -39.45 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.042 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.79 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.419 -0.809 . . . . 1.0 110.677 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -86.6 -17.34 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.133 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.43 9.72 84.49 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.549 -1.021 . . . . 1.0 110.549 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.765 0.793 . . . . 1.0 108.868 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -88.66 -3.09 58.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.043 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -113.95 125.02 53.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.556 HH12 ' CG ' ' B' ' 723' ' ' ASP . 10.6 tpp85 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 108.616 -0.883 . . . . 1.0 108.616 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.784 0.326 . . . . 1.0 110.282 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 968' ' ' TRP . 32.3 mm -64.74 -43.29 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.64 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.32 -41.49 98.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.97 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 700' ' ' VAL . 31.3 m -65.36 -40.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.87 -43.64 98.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.117 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.24 -43.35 98.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 1.0 110.024 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.4 m -60.96 -42.05 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.54 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 700' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 696' ' ' VAL . 53.3 t -62.62 -45.04 99.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.2 mtp -62.73 -41.1 99.01 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.259 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.98 97.36 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.58 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.27 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.657 HG21 ' HA3' ' A' ' 976' ' ' GLY . 44.4 mm -64.01 -41.98 94.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 111.518 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.75 -42.67 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.003 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 706' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 706' ' ' LEU . 77.5 mt -62.89 -41.52 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.115 0.484 . . . . 1.0 109.855 178.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.25 -43.13 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.794 0.806 . . . . 1.0 111.007 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 708' ' ' GLY . . . . . 0.545 ' CA ' HD11 ' A' ' 980' ' ' LEU . . . -61.03 -42.04 99.65 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.032 -0.986 . . . . 1.0 111.382 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.31 -41.78 98.97 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.702 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.26 94.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.726 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.81 95.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 1.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.23 -41.42 99.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.274 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.14 -43.67 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.329 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.44 -45.8 92.35 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.184 -0.672 . . . . 1.0 109.184 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -40.54 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.585 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -42.29 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.445 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.85 -41.75 99.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.13 0.491 . . . . 1.0 110.394 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 119.751 -0.779 . . . . 1.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -63.7 -48.5 76.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 35.1 mm -63.57 -47.32 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.453 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 722' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -68.07 -43.06 79.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.892 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.556 ' CG ' HH12 ' A' ' 995' ' ' ARG . 64.7 t0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 1.0 110.439 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.817 0.341 . . . . 1.0 111.803 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 967' ' ' TRP . . . . . 0.441 ' O ' HG23 ' A' ' 971' ' ' VAL . 98.9 m95 -56.26 -36.98 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.527 -177.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.772 ' CD1' HD11 ' B' ' 693' ' ' ILE . 98.7 m95 -58.51 -43.62 89.17 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.374 -0.531 . . . . 1.0 110.51 -179.695 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 969' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 973' ' ' VAL . 48.5 t -65.01 -43.27 96.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.082 0.468 . . . . 1.0 110.382 178.783 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.06 -41.14 97.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 971' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 967' ' ' TRP . 61.9 t -60.8 -45.18 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.339 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.64 92.26 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 969' ' ' VAL . 56.5 t -62.91 -44.77 99.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.484 0.183 . . . . 1.0 111.301 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.37 -40.98 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.6 -41.51 99.59 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.512 -1.035 . . . . 1.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.56 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.66 -38.22 95.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 1.0 110.267 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.19 -41.04 97.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.373 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' B' ' 705' ' ' LEU . 39.9 tp -61.66 -44.29 97.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.864 -0.334 . . . . 1.0 111.135 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 984' ' ' VAL . 53.6 tp -63.82 -42.17 97.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.905 0.383 . . . . 1.0 110.358 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 91.9 m -62.31 -45.25 94.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.139 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.5 -43.75 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.863 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.655 HD21 HD12 ' B' ' 712' ' ' LEU . 53.3 tp -62.51 -43.25 99.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 1.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 980' ' ' LEU . 73.1 t -63.82 -44.59 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.627 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.4 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.106 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.25 -41.86 98.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.586 -0.446 . . . . 1.0 111.106 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.6 mtp -65.8 -39.99 91.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.217 0.532 . . . . 1.0 110.519 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 11.7 t90 -65.41 -40.37 93.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.423 0.63 . . . . 1.0 110.217 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -11.16 60.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.466 -179.149 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.3 t -88.26 -16.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.055 0.455 . . . . 1.0 110.109 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 991' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 84.27 10.59 79.92 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 992' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 992' ' ' PHE . 3.9 t80 -61.22 -42.75 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.984 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 67.2 m-85 -86.93 -2.15 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 994' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.6 tttt -114.73 130.92 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.9 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.919 ' NH1' HD11 ' B' ' 719' ' ' ILE . 94.6 mtm-85 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.85 -0.796 . . . . 1.0 108.85 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 693' ' ' ILE . . . . . 0.772 HD11 ' CD1' ' A' ' 968' ' ' TRP . 21.1 tt -65.71 -39.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.019 0.437 . . . . 1.0 111.123 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 694' ' ' LEU . . . . . 0.466 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.9 tp -62.61 -42.83 99.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.462 -178.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.37 -46.98 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.797 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 23.1 m -66.25 -39.95 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.047 -0.261 . . . . 1.0 110.95 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.56 -43.33 99.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.23 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.19 -41.03 97.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.599 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -44.01 97.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 112.054 -178.727 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.5 m -65.86 -41.05 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 119.666 -0.814 . . . . 1.0 110.487 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -63.41 -40.51 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 -179.409 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.82 -34.22 86.58 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 111.699 -0.56 . . . . 1.0 111.699 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.67 98.31 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.771 -0.772 . . . . 1.0 109.524 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.56 HG21 ' HA3' ' A' ' 976' ' ' GLY . 51.0 mm -63.99 -43.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.454 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.447 ' CD2' HD23 ' A' ' 979' ' ' LEU . 95.8 mt -60.47 -43.57 96.79 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.621 -0.832 . . . . 1.0 110.79 -178.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.84 -39.15 93.54 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.621 0.724 . . . . 1.0 110.158 179.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 86.8 mt -66.79 -43.54 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.877 0.846 . . . . 1.0 111.608 179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 708' ' ' GLY . . . . . 0.453 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -62.88 -44.36 97.55 Favored Glycine 0 N--CA 1.474 1.214 0 N-CA-C 109.806 -1.317 . . . . 1.0 109.806 -179.088 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.77 -42.86 97.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.481 . . . . 1.0 110.1 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.9 95.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.035 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.44 94.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.591 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.668 ' C ' HD23 ' B' ' 712' ' ' LEU . 7.7 tt -62.63 -43.34 99.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.466 -0.333 . . . . 1.0 110.316 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.86 -42.95 99.95 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.662 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.63 -43.85 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.597 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.1 -44.95 96.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.486 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.1 OUTLIER -60.55 -46.66 89.38 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.203 -1.036 . . . . 1.0 108.203 179.831 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.89 -40.71 97.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.397 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.08 -44.27 97.04 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.616 0.599 . . . . 1.0 112.616 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.919 HD11 ' NH1' ' A' ' 995' ' ' ARG . 13.8 tt -68.27 -42.56 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 118.78 -1.168 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 720' ' ' THR . . . . . 0.486 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 19.7 m -65.17 -48.7 72.56 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 -179.264 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.58 -45.14 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 722' ' ' HIS . . . . . 0.5 ' CE1' ' OD1' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.87 -41.4 82.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.899 179.65 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.55 ' OD2' ' NH1' ' A' ' 995' ' ' ARG . 51.3 m-20 . . . . . 0 C--N 1.329 -0.298 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.383 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.592 -1.403 . . . . 12.86 109.592 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 959' ' ' LEU . . . -110.35 24.85 12.46 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.914 -0.168 . . . . 11.62 110.994 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 959' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 961' ' ' GLU . 1.5 mm? 36.5 -113.57 0.09 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.71 0.291 . . . . 10.98 110.661 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -33.35 91.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.826 -0.625 . . . . 9.39 111.349 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 959' ' ' LEU . 1.2 mt-10 177.48 174.85 0.47 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.216 1.008 . . . . 8.41 113.561 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 961' ' ' GLU . 82.0 mtm-85 38.3 -175.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 113.124 -1.853 . . . . 8.38 113.614 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -101.32 121.6 42.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.981 -1.009 . . . . 3.84 112.557 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 966' ' ' ILE . 2.2 pt -105.62 89.67 3.59 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 107.213 -1.403 . . . . 6.02 107.213 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.625 ' O ' HG23 ' A' ' 969' ' ' VAL . 6.5 Cg_endo -51.45 -0.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.566 1.511 . . . . 2.44 113.837 -176.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 964' ' ' ILE . 96.1 mt -62.55 -43.67 98.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.331 -0.948 . . . . 2.64 111.319 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -67.61 -48.86 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.383 -0.927 . . . . 1.87 110.345 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.629 ' CG ' HD11 ' B' ' 693' ' ' ILE . 81.2 m95 -61.82 -37.76 85.64 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.131 -0.94 . . . . 1.38 110.626 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 965' ' ' PRO . 37.4 t -62.38 -43.77 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.085 -0.709 . . . . 1.41 109.085 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 966' ' ' ILE . 6.4 mp -61.98 -40.73 96.62 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.869 -0.789 . . . . 1.99 108.869 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.59 -46.48 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.494 -0.558 . . . . 1.38 109.494 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.5 97.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.347 -1.101 . . . . 0.67 110.347 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 969' ' ' VAL . 54.2 t -63.72 -44.74 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.907 -0.405 . . . . 0.88 109.907 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.12 -44.07 97.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.028 0.442 . . . . 1.95 110.218 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.51 96.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.828 -0.909 . . . . 0.84 110.828 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.57 96.72 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.503 -1.039 . . . . 0.76 110.503 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.24 -40.79 97.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.171 -0.677 . . . . 1.99 109.171 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 7.9 tp -62.46 -40.7 97.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.158 -0.928 . . . . 1.84 110.622 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.956 -0.565 . . . . 1.84 110.484 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.02 110.627 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.5 m -61.4 -42.3 98.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.59 110.723 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.14 -44.51 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.917 -0.313 . . . . 1.14 111.481 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.65 -42.62 98.08 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.251 -0.58 . . . . 1.77 110.602 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.58 110.275 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.57 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.839 -0.619 . . . . 1.72 110.795 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.89 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.516 -0.311 . . . . 0.68 111.616 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 41.4 mtt -66.5 -39.25 88.6 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.639 -0.425 . . . . 1.98 110.721 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.435 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 13.8 t90 -59.36 -38.49 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.611 -0.436 . . . . 1.3 109.923 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -13.59 62.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.123 -0.49 . . . . 1.29 110.61 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 990' ' ' VAL . 72.6 t -91.59 -12.84 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.921 -0.4 . . . . 1.18 109.921 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.35 86.3 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.822 -1.311 . . . . 0.85 109.822 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.44 -39.85 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.201 -0.499 . . . . 2.52 110.743 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -92.47 -3.59 54.93 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.183 -0.462 . . . . 2.58 109.958 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.68 128.06 49.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.894 -0.593 . . . . 3.57 110.108 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -137.65 147.94 45.35 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.661 -0.496 . . . . 2.03 109.661 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -88.61 112.72 23.39 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.514 -0.551 . . . . 3.08 109.514 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.31 160.7 33.23 Favored Pre-proline 0 N--CA 1.475 0.777 0 CA-C-N 115.777 -0.647 . . . . 4.0 110.192 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 N--CA 1.495 1.563 0 C-N-CA 122.689 2.26 . . . . 3.49 111.853 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 685' ' ' PRO . . . . . 0.646 ' O ' ' N ' ' B' ' 687' ' ' SER . 4.4 Cg_exo . . . . . 0 N--CA 1.483 0.88 0 N-CA-C 107.836 -1.64 . . . . 15.53 107.836 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 686' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 687' ' ' SER . 41.1 tp10 -50.66 82.91 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.46 -0.496 . . . . 14.61 109.693 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 687' ' ' SER . . . . . 0.727 ' H ' ' HD3' ' B' ' 688' ' ' PRO . 73.0 m 126.68 57.94 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.372 0 O-C-N 124.998 1.436 . . . . 11.53 110.558 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 688' ' ' PRO . . . . . 0.727 ' HD3' ' H ' ' B' ' 687' ' ' SER . 32.3 Cg_exo -56.65 -33.78 94.2 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 N-CA-C 106.336 -2.217 . . . . 10.37 106.336 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.48 -28.79 0.76 Allowed 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 111.378 -2.646 . . . . 10.81 105.407 177.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' B' ' 692' ' ' ASP . . . 41.84 -104.13 0.04 OUTLIER Glycine 0 CA--C 1.527 0.795 0 CA-C-N 113.727 -1.579 . . . . 6.13 110.784 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.517 ' C ' ' N ' ' B' ' 693' ' ' ILE . 32.1 Cg_exo -56.35 64.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 CA-C-N 120.009 1.904 . . . . 5.1 113.825 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 690' ' ' GLY . 12.5 m-20 -62.59 -7.14 4.2 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.443 -1.688 . . . . 3.0 106.443 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.629 HD11 ' CG ' ' A' ' 968' ' ' TRP . 3.6 tt -57.57 -39.85 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 114.063 -1.426 . . . . 1.54 107.575 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.91 -47.5 77.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.271 -0.64 . . . . 1.88 109.271 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.23 -48.65 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 115.811 -0.631 . . . . 1.12 110.689 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.7 -44.88 93.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.443 -0.799 . . . . 1.08 110.407 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' B' ' 693' ' ' ILE . 59.0 tp -61.57 -43.8 98.2 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.31 -0.996 . . . . 1.21 108.31 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 31.4 mt -62.92 -44.54 95.81 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.223 -0.658 . . . . 1.95 109.223 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.5 m -63.98 -44.0 94.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.9 109.971 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.28 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.41 -0.589 . . . . 1.68 109.41 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.16 -42.07 99.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.741 -0.663 . . . . 1.05 110.479 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.59 -42.35 95.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.543 -0.623 . . . . 0.62 111.543 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.36 99.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.63 110.647 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.15 -42.14 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.164 -0.471 . . . . 1.62 110.753 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.99 -41.88 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 1.92 109.313 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.386 -0.598 . . . . 2.02 109.386 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.23 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.134 -0.485 . . . . 1.19 110.177 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.9 -46.55 94.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.277 -1.129 . . . . 0.47 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.61 -43.0 95.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.835 0.35 . . . . 1.38 110.898 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.65 98.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.39 . . . . 0.6 111.501 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.31 95.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.059 0.457 . . . . 0.6 110.206 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.72 -40.8 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.77 -0.65 . . . . 2.28 109.552 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 33.1 tp -62.5 -41.75 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 1.82 110.23 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.72 -43.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 1.19 110.155 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.52 -41.96 86.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.71 95.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.331 -0.849 . . . . 1.28 109.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -40.66 94.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 1.93 110.129 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.41 -43.86 98.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.637 -0.425 . . . . 1.98 110.486 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -41.48 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.185 -0.672 . . . . 1.27 109.185 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.5 m -59.07 -44.6 91.88 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.519 -0.472 . . . . 1.1 109.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.87 -46.65 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.198 -0.601 . . . . 1.83 110.061 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -64.96 -42.38 94.64 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.68 -0.408 . . . . 2.15 110.261 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.63 -38.69 87.43 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.094 0.473 . . . . 1.86 110.086 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 724' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' B' ' 726' ' ' GLU . 74.8 ttt-85 -70.65 -42.14 71.2 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.389 0.614 . . . . 5.2 110.624 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 725' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 725' ' ' LYS . 59.3 tttt -63.35 9.32 0.06 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.214 -0.903 . . . . 7.33 112.018 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 724' ' ' ARG . 80.8 mt-10 -56.69 -34.28 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.074 -1.016 . . . . 7.1 109.895 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.983 -1.008 . . . . 9.16 109.444 179.105 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 1.0 109.535 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.32 143.17 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 1.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.29 130.79 55.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -118.55 132.42 56.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.75 138.48 58.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -129.47 146.82 51.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.607 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.85 151.65 35.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 7.5 mm 48.53 72.05 1.39 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.221 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -60.44 143.23 99.46 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.671 2.248 . . . . 1.0 112.703 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.3 mm -67.28 -23.36 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.213 -0.903 . . . . 1.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.12 -36.81 68.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.42 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -59.37 -38.72 81.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.76 -44.35 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.715 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 970' ' ' LEU . 11.2 mp -62.21 -40.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.222 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.61 -45.29 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.55 -38.84 96.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.41 -44.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.61 0.243 . . . . 1.0 110.707 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.2 -42.95 99.76 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.673 -0.411 . . . . 1.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.65 -40.38 98.54 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.657 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.15 -37.85 95.14 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.834 -0.907 . . . . 1.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.68 -41.09 98.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 978' ' ' LEU . 89.8 mt -62.23 -39.87 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.589 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.859 HD13 HD21 ' B' ' 705' ' ' LEU . 87.8 mt -61.24 -44.29 97.5 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.819 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.8 tp -65.68 -42.9 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.046 0.451 . . . . 1.0 110.622 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 98.5 m -63.28 -46.73 85.47 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.736 -0.665 . . . . 1.0 112.708 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.0 tt -67.25 -41.21 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.142 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.6 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.1 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 980' ' ' LEU . 79.7 t -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.82 -43.01 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.314 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.7 98.24 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.593 -0.443 . . . . 1.0 111.109 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.2 mmm -65.89 -39.78 90.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.448 . . . . 1.0 110.688 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.496 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.2 t90 -64.5 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.379 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -12.49 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 110.593 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 78.2 t -87.19 -20.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.302 -0.559 . . . . 1.0 109.635 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.45 5.78 89.65 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.293 -1.123 . . . . 1.0 110.293 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 1.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 65.9 m-85 -89.24 -4.74 58.08 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.229 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 994' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -115.62 124.06 49.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.703 -0.481 . . . . 1.0 109.703 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.533 HH12 ' CG ' ' B' ' 723' ' ' ASP . 89.3 mtm180 -140.54 153.55 46.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -84.82 111.37 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.648 -0.821 . . . . 1.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 997' ' ' ARG . 0.0 OUTLIER -94.65 160.44 31.43 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.349 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 C--N 1.309 -1.541 0 C-N-CA 122.618 2.212 . . . . 1.0 112.141 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 N--CA 1.484 0.918 0 N-CA-C 109.575 -0.971 . . . . 1.0 109.575 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 52.2 p 51.87 72.5 1.18 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.56 145.36 97.84 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.937 2.425 . . . . 1.0 112.077 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.55 -43.99 97.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.564 ' O ' HG22 ' B' ' 693' ' ' ILE . . . -123.6 81.78 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.38 -34.78 82.22 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.804 2.336 . . . . 1.0 112.621 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.07 -10.92 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.564 HG22 ' O ' ' B' ' 690' ' ' GLY . 11.1 tp -65.43 -39.2 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.046 -0.353 . . . . 1.0 110.046 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.429 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.0 mt -62.69 -41.56 99.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.339 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.89 -44.72 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.94 -45.09 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.704 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -43.18 99.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.728 0.299 . . . . 1.0 110.532 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.67 -39.86 95.4 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.651 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.4 m -60.36 -42.34 95.57 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.444 0.64 . . . . 1.0 110.671 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.35 -45.81 92.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.19 -1.004 . . . . 1.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 97.2 mtp -63.46 -40.98 98.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.303 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.84 99.6 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.938 -0.649 . . . . 1.0 111.998 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.99 94.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 1.0 110.758 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.657 HG21 ' HA3' ' A' ' 976' ' ' GLY . 96.7 mt -64.69 -42.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.592 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 979' ' ' LEU . 35.7 mt -61.55 -41.84 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.19 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 1.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.05 -43.85 97.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.384 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.03 99.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.268 -1.133 . . . . 1.0 110.268 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.05 -42.18 99.66 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.5 84.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.798 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.51 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.529 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.69 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.683 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.44 -40.37 96.97 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.315 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.7 -42.87 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 1.0 110.384 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.445 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.7 t90 -59.98 -37.93 81.07 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.432 0.634 . . . . 1.0 110.0 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -45.03 88.14 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.72 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.97 -40.11 95.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.33 -44.45 96.46 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.351 0.501 . . . . 1.0 112.351 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.41 -37.62 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.022 0.439 . . . . 1.0 110.726 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.6 m -61.43 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.11 -44.64 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.951 -0.699 . . . . 1.0 110.842 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -61.73 -42.1 98.52 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.694 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.533 ' CG ' HH12 ' A' ' 995' ' ' ARG . 40.9 m-20 -61.69 -42.46 98.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.142 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.01 -39.48 90.29 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.991 0.424 . . . . 1.0 110.718 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.55 -41.71 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.335 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 59.22 29.39 18.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.762 0.315 . . . . 1.0 110.533 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.547 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.594 -1.403 . . . . 1.0 109.594 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.47 143.09 56.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.8 mt -110.35 131.1 55.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.344 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.03 125.69 54.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -117.31 136.13 53.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -64.42 -39.54 94.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.676 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 964' ' ' ILE . . . -67.78 140.94 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.447 ' O ' ' CG1' ' A' ' 964' ' ' ILE . 1.1 tt 31.36 68.4 0.8 Allowed Pre-proline 0 CA--C 1.534 0.34 0 O-C-N 123.701 0.626 . . . . 1.0 111.194 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -60.73 143.62 99.42 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.412 2.075 . . . . 1.0 112.438 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.7 -25.5 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.535 ' O ' HG23 ' A' ' 971' ' ' VAL . 99.0 m95 -57.27 -38.97 74.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.591 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.73 -41.66 97.93 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.111 -0.636 . . . . 1.0 110.722 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 973' ' ' VAL . 55.3 t -64.21 -44.34 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.058 0.456 . . . . 1.0 110.109 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.4 -42.04 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 971' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 967' ' ' TRP . 66.3 t -61.91 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.421 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.66 98.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 969' ' ' VAL . 55.5 t -63.32 -44.74 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 1.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.27 -43.24 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.293 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -64.12 -34.9 91.16 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.47 -1.052 . . . . 1.0 110.47 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.03 88.74 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.97 -42.03 98.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 978' ' ' LEU . 4.1 mm? -62.49 -40.17 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.266 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.526 HD21 HD13 ' B' ' 705' ' ' LEU . 40.9 tp -60.95 -44.52 97.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.031 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.0 tp -63.81 -42.15 97.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.0 110.127 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.3 m -62.86 -45.07 94.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.825 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.35 -43.54 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.11 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.38 -0.528 . . . . 1.0 109.963 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 980' ' ' LEU . 74.7 t -64.47 -44.04 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.886 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.01 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.358 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.94 97.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.768 ' O ' HG22 ' A' ' 990' ' ' VAL . 94.8 mtp -65.62 -40.45 92.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 1.0 110.7 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.2 t90 -63.35 -38.66 92.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.47 . . . . 1.0 111.124 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -13.09 61.18 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 987' ' ' MET . 31.0 m -93.68 -3.11 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 119.723 -0.791 . . . . 1.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.2 80.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.363 -0.695 . . . . 1.0 111.363 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 3.3 t80 -61.43 -43.1 99.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.718 0.294 . . . . 1.0 111.64 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -88.0 -2.6 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.332 -0.547 . . . . 1.0 111.286 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -90.37 123.85 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.2 -0.666 . . . . 1.0 109.2 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.541 ' NH2' HG23 ' B' ' 719' ' ' ILE . 62.9 ttm-85 -140.89 144.67 35.37 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -84.43 111.09 19.15 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.486 -0.886 . . . . 1.0 109.758 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.75 160.62 25.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--N 1.308 -1.562 0 C-N-CA 122.753 2.302 . . . . 1.0 112.232 -179.807 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 N--CA 1.483 0.886 0 N-CA-C 109.539 -0.985 . . . . 1.0 109.539 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.78 -8.99 39.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.765 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 687' ' ' SER . . . . . 0.493 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 0.0 OUTLIER -54.49 -47.39 97.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.27 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 688' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' B' ' 687' ' ' SER . 50.9 Cg_exo -53.74 -37.92 84.56 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.363 2.042 . . . . 1.0 112.101 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.08 133.57 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.618 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 43.09 69.62 0.62 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -53.84 -38.85 85.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.748 2.299 . . . . 1.0 112.308 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.17 140.85 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.337 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 693' ' ' ILE . 11.0 tp -64.7 -25.95 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.618 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.13 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.75 -44.42 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.461 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.76 -44.86 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.736 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.06 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.485 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.26 -41.72 99.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 1.0 110.429 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.3 m -60.27 -42.01 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.589 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.13 -46.25 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.77 -40.82 97.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.56 -41.05 99.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.628 -0.589 . . . . 1.0 111.628 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.024 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 979' ' ' LEU . 51.0 tp -60.88 -42.43 97.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.59 -43.65 98.28 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.401 -0.52 . . . . 1.0 109.978 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.17 -43.57 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.282 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.52 -45.23 96.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.5 -1.04 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 1.0 110.506 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.86 97.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.489 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.25 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.104 -0.639 . . . . 1.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.625 HD22 ' SD ' ' A' ' 987' ' ' MET . 95.7 mt -63.32 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.423 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.31 -42.79 99.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.669 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.32 -43.96 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.15 -42.13 94.23 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -42.04 97.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.56 -42.71 99.72 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.805 0.812 . . . . 1.0 110.626 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.541 HG23 ' NH2' ' A' ' 995' ' ' ARG . 71.5 mt -67.76 -42.5 86.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.937 178.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -62.26 -44.17 97.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.345 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.46 -42.02 86.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.684 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -67.7 -38.35 83.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.05 -0.66 . . . . 1.0 110.975 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.86 -39.51 90.81 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.047 -0.661 . . . . 1.0 109.598 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.179 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.92 -44.76 95.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.575 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.47 138.85 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.898 -1.048 . . . . 1.0 110.563 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.481 ' C ' HD22 ' A' ' 959' ' ' LEU . . . -67.05 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 1.0 110.572 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 959' ' ' LEU . . . . . 0.481 HD22 ' C ' ' A' ' 958' ' ' ALA . 4.1 mm? -105.0 130.78 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -134.05 146.19 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.59 -77.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.649 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -131.1 146.05 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.76 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.426 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 964' ' ' ILE . 3.0 tp -170.16 64.46 0.48 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 121.186 0.517 . . . . 1.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -80.13 -0.29 10.56 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.48 2.787 . . . . 1.0 112.471 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.03 -42.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.672 -0.695 . . . . 1.0 112.486 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -56.65 -38.92 72.85 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.646 -0.422 . . . . 1.0 111.776 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.472 ' CD1' HD12 ' B' ' 693' ' ' ILE . 96.4 m95 -60.79 -39.05 87.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 973' ' ' VAL . 53.1 t -63.07 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 1.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.72 -40.68 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -45.67 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.415 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.56 96.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.491 -1.043 . . . . 1.0 110.491 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.5 t -63.36 -44.11 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 1.0 110.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.82 -43.14 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.38 -32.78 85.31 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.522 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -61.61 -34.89 90.11 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.324 -0.71 . . . . 1.0 111.324 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.96 -40.62 96.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.112 0.482 . . . . 1.0 109.775 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.8 -40.97 97.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.618 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.39 -43.98 97.95 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.14 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 984' ' ' VAL . 52.4 tp -64.3 -42.43 96.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.138 0.494 . . . . 1.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.32 -44.95 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.503 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.1 -44.0 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.865 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.22 99.42 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.229 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 980' ' ' LEU . 68.4 t -64.31 -44.03 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.82 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.87 -42.63 99.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.16 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.429 -0.509 . . . . 1.0 111.332 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.18 -41.05 90.82 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -63.07 -38.55 91.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.43 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -11.53 46.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.92 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.93 -18.31 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.413 -0.515 . . . . 1.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.98 5.93 89.34 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.62 -42.35 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.637 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.456 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.3 m-85 -88.89 -4.17 58.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.9 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.74 124.88 35.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' B' ' 723' ' ' ASP . 42.5 ttm180 -140.75 146.05 37.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -84.47 111.31 19.37 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.399 -0.92 . . . . 1.0 109.802 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -92.26 149.98 39.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.293 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.314 -1.26 0 C-N-CA 122.292 1.995 . . . . 1.0 112.081 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo . . . . . 0 N--CA 1.484 0.956 0 N-CA-C 109.571 -0.973 . . . . 1.0 109.571 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -113.86 125.91 54.59 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 687' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 46.3 t -170.4 51.91 0.18 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 688' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' B' ' 687' ' ' SER . 36.9 Cg_endo -64.68 146.89 89.54 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.894 2.396 . . . . 1.0 112.221 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' B' ' 692' ' ' ASP . 88.8 tttt -62.36 -44.76 95.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.618 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 61.97 -177.94 5.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.71 -40.67 78.91 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.602 2.201 . . . . 1.0 112.512 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.489 ' O ' HG23 ' B' ' 696' ' ' VAL . 99.2 m-20 55.37 33.21 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 968' ' ' TRP . 31.3 mm -63.91 -43.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.747 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.51 ' N ' HD12 ' B' ' 694' ' ' LEU . 11.0 mp -62.48 -42.31 99.4 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.523 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.1 -44.49 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.13 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 692' ' ' ASP . 69.8 t -62.72 -44.82 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -42.95 99.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.171 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.57 -43.29 99.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -61.03 -41.7 97.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.164 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.49 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.93 -40.96 99.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.835 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.67 96.55 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.296 0.57 . . . . 1.0 110.656 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.522 HD13 ' HA3' ' A' ' 976' ' ' GLY . 78.4 mt -65.59 -43.49 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.912 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.169 -0.612 . . . . 1.0 109.971 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.23 -43.02 92.78 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.968 -0.693 . . . . 1.0 110.94 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.57 -43.27 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.009 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.79 -41.44 98.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.339 -1.104 . . . . 1.0 110.339 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.89 -41.59 97.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 1.0 110.168 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.7 92.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.469 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.96 96.24 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.405 -0.518 . . . . 1.0 109.985 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.15 -41.52 99.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.056 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.585 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.13 -43.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 1.0 110.208 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.456 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.49 -43.8 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.81 99.52 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.718 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.19 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.436 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.0 -43.66 98.18 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.58 -38.48 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 84.8 m -62.17 -44.41 96.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.979 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.84 -43.95 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.041 -0.264 . . . . 1.0 111.089 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -64.98 -40.7 95.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.624 -0.431 . . . . 1.0 110.368 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' A' ' 995' ' ' ARG . 54.0 m-20 -64.97 -40.43 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.118 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.87 -42.9 99.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.145 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.51 -44.11 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.707 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.7 137.79 57.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.544 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' B' ' 727' ' ' PHE . 55.5 p90 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.673 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.419 -1.472 . . . . 1.0 109.419 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -150.65 152.02 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.663 0.268 . . . . 1.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 959' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 962' ' ' ARG . 90.2 mt -110.38 131.11 55.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.12 -36.68 83.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.797 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 961' ' ' GLU . 55.1 mp0 -64.65 -39.99 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.93 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 959' ' ' LEU . 84.8 mtt85 -102.05 136.83 41.21 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.602 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -150.62 152.55 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.699 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.474 ' HA ' HD11 ' B' ' 693' ' ' ILE . 1.2 pt -134.09 76.86 63.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -60.59 144.36 99.53 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.657 2.238 . . . . 1.0 112.685 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt -67.77 -24.46 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.055 -0.975 . . . . 1.0 111.534 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.413 ' O ' HG23 ' A' ' 971' ' ' VAL . 98.9 m95 -56.45 -37.98 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.581 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.58 -41.58 90.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 973' ' ' VAL . 53.7 t -64.71 -43.67 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.218 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.88 -41.89 98.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.421 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 971' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 967' ' ' TRP . 67.6 t -61.48 -45.38 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.7 95.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.3 t -63.13 -44.39 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.695 0.283 . . . . 1.0 110.569 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.1 -42.07 98.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.927 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.14 -28.04 70.0 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.544 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -61.17 -34.42 87.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 977' ' ' LEU . 11.1 mp -62.51 -40.85 98.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.24 -41.73 98.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.347 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 979' ' ' LEU . 7.2 tt -61.5 -44.29 97.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.941 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.8 tp -62.86 -41.26 99.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 1.0 110.188 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.46 -43.86 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 112.068 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.61 -44.67 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.407 -0.517 . . . . 1.0 111.648 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.67 -40.89 97.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.817 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 980' ' ' LEU . 69.5 t -61.91 -44.65 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.846 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.53 -41.91 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.032 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.3 -41.3 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.62 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.47 -37.57 85.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.548 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.619 ' NE1' ' NZ ' ' A' ' 994' ' ' LYS . 11.7 t90 -57.76 -39.27 77.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.007 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -12.17 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 986' ' ' ALA . 97.8 t -90.55 -3.56 10.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.629 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.38 66.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.744 -0.542 . . . . 1.0 111.744 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 992' ' ' PHE . 4.0 t80 -61.02 -42.61 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 1.0 110.901 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -92.4 0.93 57.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.632 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 994' ' ' LYS . . . . . 0.619 ' NZ ' ' NE1' ' A' ' 988' ' ' TRP . 64.8 mttp -102.77 124.59 48.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.172 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.618 HH21 ' CG2' ' B' ' 719' ' ' ILE . 56.3 ttm-85 -141.07 143.78 34.56 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -84.85 111.41 19.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.608 -0.837 . . . . 1.0 110.026 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 160.59 31.73 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 C--N 1.309 -1.538 0 C-N-CA 122.463 2.109 . . . . 1.0 112.187 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.539 -0.985 . . . . 1.0 109.539 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.46 126.87 55.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.446 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 26.7 m 54.6 74.05 0.8 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.349 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.69 145.13 97.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.92 2.413 . . . . 1.0 111.908 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.86 133.95 50.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.252 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 174.17 72.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.53 -36.38 88.5 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.018 2.479 . . . . 1.0 111.817 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.501 ' O ' HG23 ' B' ' 696' ' ' VAL . 54.9 m-20 -63.12 -38.13 89.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.6 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 964' ' ' ILE . 31.5 mm -63.66 -44.0 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.657 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.461 HD12 ' N ' ' B' ' 694' ' ' LEU . 11.2 mp -64.01 -39.86 95.04 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.726 0.774 . . . . 1.0 109.856 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.26 -44.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.461 0.648 . . . . 1.0 109.799 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 692' ' ' ASP . 72.5 t -62.81 -43.89 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.228 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.25 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.752 0.31 . . . . 1.0 110.442 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.18 -42.05 99.31 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.9 m -61.46 -42.53 98.92 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.735 0.779 . . . . 1.0 109.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 696' ' ' VAL . 74.2 t -62.94 -43.74 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.958 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.29 -40.61 97.83 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.902 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.45 Favored Glycine 0 CA--C 1.537 1.423 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.17 96.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.371 0.605 . . . . 1.0 109.826 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.544 HD13 ' HA3' ' A' ' 976' ' ' GLY . 92.9 mt -63.29 -43.38 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.486 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.289 -0.564 . . . . 1.0 110.735 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.47 -42.81 98.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 1.0 110.635 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.47 -43.93 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.331 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.97 98.4 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.53 -42.43 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.794 0.331 . . . . 1.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.362 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.0 97.14 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.548 -0.461 . . . . 1.0 110.599 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.66 -41.96 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.645 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.95 -41.9 99.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.519 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.17 -44.08 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.631 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -63.27 -41.79 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 1.0 108.965 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -41.32 94.74 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.275 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.8 -40.99 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.761 -0.375 . . . . 1.0 110.499 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.69 -42.29 99.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.031 0.443 . . . . 1.0 110.696 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.618 ' CG2' HH21 ' A' ' 995' ' ' ARG . 91.7 mt -65.0 -40.45 89.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.944 0.878 . . . . 1.0 109.33 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 85.9 m -61.02 -43.3 99.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 119.625 -0.83 . . . . 1.0 110.032 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.14 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -68.47 -39.27 81.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.657 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 68.5 t0 -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.99 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -62.02 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.608 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.78 -42.4 99.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.94 -39.39 90.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.531 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.713 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.5 -1.44 . . . . 1.0 109.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.8 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 1.0 110.612 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.4 mt -109.98 130.7 55.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.48 136.11 56.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.513 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.02 138.35 55.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -62.52 -43.2 99.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -150.26 153.57 36.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.669 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.684 HD12 ' HE1' ' A' ' 967' ' ' TRP . 2.0 pt -117.41 75.14 8.67 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.17 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.46 -9.25 21.42 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.608 2.206 . . . . 1.0 112.373 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.8 pt -64.15 -23.13 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 112.201 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.684 ' HE1' HD12 ' A' ' 964' ' ' ILE . 87.0 m95 -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.213 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.502 ' CD1' HD11 ' B' ' 693' ' ' ILE . 98.9 m95 -60.71 -39.12 87.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 973' ' ' VAL . 73.2 t -63.6 -44.02 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.36 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.27 -41.41 98.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.18 -44.8 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.62 93.64 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.631 -0.987 . . . . 1.0 110.631 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 969' ' ' VAL . 60.0 t -62.87 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 1.0 110.165 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.69 -41.31 99.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 1.0 109.831 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.48 90.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.96 -40.92 99.11 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.82 -41.87 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.426 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.5 tp -64.89 -41.71 95.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 1.0 109.566 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.1 m -63.07 -44.7 95.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.909 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.55 -44.37 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.033 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.06 -40.38 97.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.468 0.652 . . . . 1.0 110.43 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 980' ' ' LEU . 57.8 t -68.09 -43.32 85.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 122.114 0.959 . . . . 1.0 110.976 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.42 -42.66 92.34 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.998 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.92 -42.95 94.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.926 -1.509 . . . . 1.0 111.504 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.27 -38.64 85.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.821 0.82 . . . . 1.0 110.797 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.492 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -62.41 -37.19 84.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.372 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -12.21 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.47 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.44 -19.22 7.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.149 0.5 . . . . 1.0 109.754 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.18 6.18 89.02 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.424 -1.071 . . . . 1.0 110.424 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.72 -42.52 99.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 57.4 m-85 -89.89 -3.04 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.408 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -97.41 123.65 41.32 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.08 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.541 HH22 ' CG ' ' B' ' 723' ' ' ASP . 95.4 mtt180 -141.0 153.97 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -85.36 111.51 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.84 160.71 25.08 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.626 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--N 1.308 -1.576 0 C-N-CA 122.652 2.235 . . . . 1.0 112.019 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.468 -1.012 . . . . 1.0 109.468 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -113.51 125.1 53.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.177 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 99.7 p 41.1 69.82 1.84 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.692 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.9 -38.17 85.9 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.94 2.427 . . . . 1.0 112.133 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.66 133.55 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.408 ' H ' ' HD3' ' B' ' 691' ' ' PRO . . . 149.68 69.06 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.408 ' HD3' ' H ' ' B' ' 690' ' ' GLY . 48.6 Cg_exo -54.16 -38.24 87.71 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.739 2.293 . . . . 1.0 112.18 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -69.22 141.78 54.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.456 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 968' ' ' TRP . 20.5 tt -65.72 -26.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.479 ' O ' HD13 ' B' ' 698' ' ' LEU . 54.9 tp -62.02 -43.47 98.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.044 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.68 -43.6 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 1.0 109.658 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.33 -43.53 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.809 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.28 97.61 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.803 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.479 HD13 ' O ' ' B' ' 694' ' ' LEU . 8.4 mp -64.1 -41.91 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.312 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.3 m -60.81 -45.27 95.1 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.37 -37.45 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.77 -41.03 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.66 97.78 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.568 -1.013 . . . . 1.0 110.568 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.828 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.16 -43.67 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.136 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.91 -41.8 99.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.028 0.442 . . . . 1.0 109.847 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.997 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.06 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.945 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.61 -40.31 98.98 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.165 -1.174 . . . . 1.0 110.165 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.17 -42.09 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 1.0 110.481 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.75 90.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.475 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.1 96.29 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 119.956 -0.698 . . . . 1.0 110.197 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.157 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.69 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.55 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.43 -43.96 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-O 121.304 0.573 . . . . 1.0 110.07 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.8 t90 -60.8 -42.44 97.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.91 91.53 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.907 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.13 -40.68 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.542 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.94 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.317 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.7 m -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.43 -43.35 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.029 0.442 . . . . 1.0 110.507 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -64.44 -38.36 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.541 ' CG ' HH22 ' A' ' 995' ' ' ARG . 47.0 m-20 -64.39 -37.59 88.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.778 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.09 -39.08 92.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 1.0 111.507 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.04 -40.17 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.388 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 59.16 30.72 20.55 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.395 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' B' ' 727' ' ' PHE . 89.5 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.24 143.24 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 1.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.07 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.03 -38.52 88.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.69 137.84 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.721 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -68.8 136.7 53.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.484 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -64.98 143.17 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.143 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 967' ' ' TRP . 7.8 pt -128.81 76.26 79.14 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.798 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.611 ' HB3' HD12 ' B' ' 693' ' ' ILE . 43.3 Cg_endo -76.22 -4.2 14.79 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.865 2.376 . . . . 1.0 112.214 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.85 -42.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.951 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.453 ' O ' HG23 ' A' ' 971' ' ' VAL . 95.3 m95 -57.33 -39.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.564 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -61.45 -40.74 95.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.905 -0.718 . . . . 1.0 110.425 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.523 HG13 HG21 ' B' ' 700' ' ' VAL . 53.2 t -64.43 -43.8 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.49 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.46 -41.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.55 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 971' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 967' ' ' TRP . 64.9 t -61.59 -45.55 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.678 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.28 98.9 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.87 -44.79 99.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 1.0 110.457 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 1.0 109.968 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.89 -23.44 63.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.93 91.37 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.5 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.86 -40.83 98.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.69 -42.69 99.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.896 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.5 tp -63.91 -42.05 97.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.482 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 16.0 m -62.85 -41.73 99.47 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.397 -0.819 . . . . 1.0 111.67 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.0 -44.78 99.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 119.56 -0.856 . . . . 1.0 110.898 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -41.72 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.48 . . . . 1.0 110.223 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 980' ' ' LEU . 77.7 t -62.2 -43.35 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.494 -0.775 . . . . 1.0 111.019 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.629 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.26 96.23 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.434 -0.507 . . . . 1.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 74.9 mtm -65.69 -40.4 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 111.284 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.0 t90 -60.1 -37.89 81.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.349 0.595 . . . . 1.0 110.028 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -36.02 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 1.0 111.567 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 992' ' ' PHE . 10.2 m -89.59 -15.04 8.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.823 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 75.98 7.73 84.31 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.515 ' H ' HG23 ' A' ' 990' ' ' VAL . 3.7 t80 -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.981 -0.288 . . . . 1.0 110.845 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 32.8 m-85 -97.41 -4.17 38.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.764 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 994' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.1 mttt -134.19 144.89 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 1.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 95.9 mtt180 -136.68 153.14 50.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.667 -0.813 . . . . 1.0 109.761 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -96.3 156.59 36.74 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.24 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo . . . . . 0 C--N 1.31 -1.472 0 C-N-CA 122.324 2.016 . . . . 1.0 112.035 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo . . . . . 0 N--CA 1.484 0.967 0 N-CA-C 109.59 -0.965 . . . . 1.0 109.59 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -113.68 125.37 54.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.949 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 687' ' ' SER . . . . . 0.496 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 0.3 OUTLIER 176.96 -46.94 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.034 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 688' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 687' ' ' SER . 50.7 Cg_exo -54.08 -37.82 87.0 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 1.0 112.208 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.32 145.68 35.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -74.07 176.5 46.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.15 152.05 67.12 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.022 2.481 . . . . 1.0 112.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.12 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.201 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 965' ' ' PRO . 19.6 tt -66.05 -39.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.031 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.447 ' N ' HG23 ' B' ' 693' ' ' ILE . 88.1 mt -62.22 -41.82 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.139 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.87 -45.09 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.505 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.89 -42.39 99.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.182 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.23 -43.09 99.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.2 m -60.85 -41.79 96.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.193 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.523 HG21 HG13 ' A' ' 969' ' ' VAL . 49.9 t -62.73 -44.77 99.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.35 -41.41 98.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.949 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.69 96.66 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.737 -0.744 . . . . 1.0 111.323 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.39 93.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 1.0 111.276 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.62 -44.09 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.519 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.13 -41.68 99.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.224 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.412 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.52 -43.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.948 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.18 99.15 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.83 -41.55 99.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.856 0.36 . . . . 1.0 110.766 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.98 84.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.835 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.62 97.9 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.66 -39.99 95.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.49 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.3 -42.7 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.287 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.43 -43.62 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.61 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.369 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -41.43 97.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.134 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -42.95 98.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.99 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.09 -44.02 96.88 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.1 tt -68.49 -38.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.417 -0.513 . . . . 1.0 110.67 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.0 m -61.58 -44.13 97.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.944 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.04 -43.57 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.799 -0.361 . . . . 1.0 111.173 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.24 -39.4 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.677 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 70.1 m-20 -63.83 -42.68 97.57 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.779 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.89 -39.44 94.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 28.3 tttt 48.48 35.09 5.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.435 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -66.46 140.0 58.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.814 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.612 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.612 -1.395 . . . . 1.0 109.612 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.722 0.296 . . . . 1.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.83 -42.07 99.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.547 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.7 136.63 54.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.468 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.28 135.74 53.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.31 -40.52 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.459 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.54 52.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.701 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.591 ' N ' ' CD ' ' A' ' 965' ' ' PRO . 7.9 pt -145.29 39.91 0.26 Allowed Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.251 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 964' ' ' ILE . 37.6 Cg_endo -66.1 -21.64 55.64 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.415 2.077 . . . . 1.0 112.632 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.64 -43.45 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.419 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.95 -41.86 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.842 -0.343 . . . . 1.0 111.039 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.64 -40.83 98.25 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.631 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.21 -44.12 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.816 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.97 -41.2 97.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.523 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.9 -44.91 99.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -41.32 99.72 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.181 -0.768 . . . . 1.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.81 -44.14 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.953 -0.299 . . . . 1.0 110.44 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.93 -42.68 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.468 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.97 -40.7 99.63 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.598 ' C ' HG21 ' B' ' 704' ' ' ILE . . . -63.97 -39.89 97.73 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.16 -40.44 97.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 1.0 110.217 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -41.73 97.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.294 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.704 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.9 tt -61.47 -44.61 96.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.354 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 984' ' ' VAL . 53.9 tp -63.44 -42.8 98.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.531 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.77 -45.25 93.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.624 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 1.0 111.197 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.95 -43.4 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 1.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 980' ' ' LEU . 71.5 t -64.45 -44.23 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.272 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -61.7 -44.69 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.719 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.3 mtt -64.87 -41.05 95.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 1.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.449 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.7 t90 -62.37 -40.6 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.267 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -11.74 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.037 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.7 t -89.09 -16.71 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 1.0 110.163 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.55 11.58 81.65 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.069 -1.212 . . . . 1.0 110.069 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.54 -42.49 98.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.287 -0.456 . . . . 1.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 59.9 m-85 -98.64 -0.93 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.039 0.385 . . . . 1.0 112.039 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -112.13 129.82 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 1.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.587 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.6 mtt180 -134.08 153.22 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.813 -0.81 . . . . 1.0 108.813 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -84.55 111.43 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.717 -0.793 . . . . 1.0 109.637 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.31 160.85 25.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.449 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.309 -1.518 0 C-N-CA 122.564 2.176 . . . . 1.0 112.08 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 N--CA 1.485 0.973 0 N-CA-C 109.491 -1.004 . . . . 1.0 109.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.85 -39.1 90.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.712 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 4.9 t 41.1 57.93 8.67 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.941 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.67 -20.12 53.26 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.638 2.225 . . . . 1.0 112.176 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.05 133.57 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.681 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' B' ' 691' ' ' PRO . . . 172.97 -49.29 0.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' B' ' 690' ' ' GLY . 21.2 Cg_exo -61.95 146.85 96.14 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.866 2.377 . . . . 1.0 112.015 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.4 ' O ' HG22 ' B' ' 695' ' ' VAL . 98.6 m-20 59.3 38.78 23.07 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.796 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.6 -26.02 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.383 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.895 0.331 . . . . 1.0 111.895 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 695' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' B' ' 696' ' ' VAL . 1.9 m -64.2 -40.85 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.201 -0.6 . . . . 1.0 110.161 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.435 ' N ' ' CG2' ' B' ' 695' ' ' VAL . 68.3 t -62.97 -44.49 99.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.02 -42.99 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.057 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.0 -42.09 99.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.905 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -60.2 -41.37 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.46 -46.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.564 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.542 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.47 -39.5 96.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.498 -0.641 . . . . 1.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.02 99.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.986 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.598 HG21 ' C ' ' A' ' 976' ' ' GLY . 33.1 mm -64.12 -43.27 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 1.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.68 -42.09 98.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.346 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.28 -41.86 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.69 -43.43 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.0 109.837 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.24 99.32 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.353 -1.099 . . . . 1.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.92 -42.47 99.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 1.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.98 93.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.083 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.85 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.309 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.3 -42.85 99.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.52 -43.72 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 1.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.89 -43.07 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.53 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.81 97.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.905 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.98 -42.71 99.91 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.294 -0.563 . . . . 1.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.7 -45.16 94.04 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.83 -38.36 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.781 -0.768 . . . . 1.0 110.279 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.0 m -58.41 -41.93 86.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.904 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.99 -41.86 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.732 0.777 . . . . 1.0 110.029 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -70.73 -34.81 72.27 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.587 ' CG ' HH12 ' A' ' 995' ' ' ARG . 67.5 t0 -65.74 -42.18 91.27 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.751 -1.113 . . . . 1.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.81 -40.29 91.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.388 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.45 17.46 20.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.699 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.37 -38.87 92.82 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.883 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' B' ' 727' ' ' PHE . 89.0 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.835 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.448 0 N-CA-C 109.721 -1.351 . . . . 1.0 109.721 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.24 90.4 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 1.0 109.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 959' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 960' ' ' GLU . 90.3 mt -111.35 130.99 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.631 . . . . 1.0 109.716 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 959' ' ' LEU . 80.8 tt0 56.5 109.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 1.0 110.161 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.73 138.33 58.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.538 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.803 HH22 HD11 ' A' ' 966' ' ' ILE . 71.8 ttt180 -61.84 -43.05 99.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.261 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 962' ' ' ARG . . . 57.95 155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.471 ' HA ' HD12 ' B' ' 693' ' ' ILE . 12.4 mt 60.57 68.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.926 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.66 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.572 2.181 . . . . 1.0 112.967 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.803 HD11 HH22 ' A' ' 962' ' ' ARG . 96.5 mt -67.72 -20.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.661 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.15 -36.73 71.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.492 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.726 ' CD1' HD11 ' B' ' 693' ' ' ILE . 97.0 m95 -57.9 -40.75 81.08 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.746 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 973' ' ' VAL . 55.4 t -66.08 -42.95 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.953 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.82 -42.74 99.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 1.0 112.331 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.5 -41.49 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.928 -0.709 . . . . 1.0 110.238 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.22 95.66 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.136 -1.186 . . . . 1.0 110.136 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 969' ' ' VAL . 67.6 t -63.44 -44.45 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 1.0 110.5 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.58 -41.54 99.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.35 -38.35 95.56 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.95 95.71 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.214 -1.154 . . . . 1.0 110.214 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.87 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 1.0 110.345 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -40.36 96.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.621 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.727 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.5 tt -60.74 -45.38 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.465 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.2 tp -63.95 -42.31 97.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 1.0 110.104 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 81.6 m -62.46 -44.48 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.443 -0.798 . . . . 1.0 112.227 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.94 -44.12 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.714 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.3 -42.03 99.01 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.149 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 980' ' ' LEU . 74.8 t -64.3 -44.36 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.189 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.403 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -65.25 -42.4 93.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.146 -0.622 . . . . 1.0 110.472 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.04 -40.83 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.779 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 11.6 t90 -61.77 -41.19 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.414 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -13.87 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.053 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.3 t -90.61 -17.49 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.363 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 8.31 77.69 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.76 -42.46 99.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 1.0 110.54 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.434 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 41.8 m-85 -88.09 -2.55 58.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.401 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.42 129.1 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' B' ' 723' ' ' ASP . 59.5 ttt85 -140.08 145.42 37.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -83.62 111.96 19.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.405 -0.918 . . . . 1.0 109.999 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.35 156.7 41.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.492 1.395 0 C-N-CA 122.356 2.037 . . . . 1.0 112.11 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.483 0.855 0 N-CA-C 109.641 -0.946 . . . . 1.0 109.641 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.92 -38.92 89.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 30.1 t 50.99 73.79 0.92 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.83 -37.78 85.19 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.92 2.413 . . . . 1.0 112.204 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 690' ' ' GLY . 98.9 mttt -62.8 -41.33 99.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' B' ' 689' ' ' LYS . . . -55.02 -163.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.12 144.77 99.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.75 2.3 . . . . 1.0 111.941 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.43 ' O ' HG23 ' B' ' 696' ' ' VAL . 94.4 m-20 -92.14 -1.22 57.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.168 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.726 HD11 ' CD1' ' A' ' 968' ' ' TRP . 20.7 tt -65.97 -40.9 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.886 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.48 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.0 mt -62.53 -42.19 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.176 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.79 -44.36 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 692' ' ' ASP . 69.8 t -62.85 -44.44 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.95 -43.24 99.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.858 0.361 . . . . 1.0 110.472 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.88 -41.5 97.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.066 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.8 m -60.33 -44.53 95.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.249 0.463 . . . . 1.0 112.249 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -65.36 -41.55 91.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.727 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.74 -40.85 97.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.53 99.28 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.54 -0.624 . . . . 1.0 111.54 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.62 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.955 0.407 . . . . 1.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.98 -43.34 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.16 -41.84 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.62 -43.71 98.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.93 -43.96 98.71 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.383 -1.087 . . . . 1.0 110.383 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.91 -41.89 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.093 0.473 . . . . 1.0 110.849 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.7 94.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.908 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.44 97.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 1.0 110.453 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.08 -41.62 97.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.505 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.83 -45.32 94.33 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 121.956 0.884 . . . . 1.0 109.792 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.176 -1.41 . . . . 1.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.434 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.54 -42.64 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.28 92.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.146 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.87 -39.87 95.75 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.567 -0.453 . . . . 1.0 111.031 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.88 -42.47 99.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.977 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.68 -43.64 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 121.295 0.569 . . . . 1.0 110.388 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 11.9 m -61.74 -42.61 99.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.686 1.231 . . . . 1.0 110.782 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.2 -44.02 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 118.511 -1.276 . . . . 1.0 111.253 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 722' ' ' HIS . . . . . 0.44 ' O ' ' OE1' ' B' ' 726' ' ' GLU . 68.2 m80 -65.55 -40.86 93.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.98 -0.688 . . . . 1.0 109.815 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 42.4 m-20 -65.47 -38.15 88.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.114 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.54 -43.48 98.71 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.458 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -42.61 99.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.442 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 722' ' ' HIS . 57.3 mp0 -112.88 124.62 53.03 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.879 0.371 . . . . 1.0 110.409 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.239 179.827 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 957' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 958' ' ' ALA . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.728 -1.349 . . . . 1.0 109.728 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 957' ' ' GLY . . . 37.91 95.82 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.878 0.37 . . . . 1.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.95 -41.91 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.532 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -111.21 121.89 46.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.146 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.07 -41.79 90.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.886 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -146.9 150.07 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 1.0 111.198 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -70.05 144.61 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.478 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.554 HD12 HD12 ' A' ' 966' ' ' ILE . 0.5 OUTLIER -136.43 157.41 75.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.121 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.68 -12.12 34.43 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.564 2.176 . . . . 1.0 112.278 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.554 HD12 HD12 ' A' ' 964' ' ' ILE . 92.8 mt -62.1 -41.7 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.282 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.568 ' O ' HG23 ' A' ' 971' ' ' VAL . 94.0 m95 -60.88 -38.56 86.06 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 122.056 0.931 . . . . 1.0 111.217 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.08 -46.29 81.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 120.0 -0.68 . . . . 1.0 112.565 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.36 -37.71 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 119.675 -0.81 . . . . 1.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.863 0.363 . . . . 1.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 971' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 967' ' ' TRP . 67.9 t -62.14 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.691 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.26 97.31 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.3 -44.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.0 110.354 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.47 -42.15 99.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.143 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.84 98.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.11 -40.37 99.11 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.413 -1.075 . . . . 1.0 110.413 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 1.0 110.033 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.08 -42.03 98.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 979' ' ' LEU . 2.7 tm? -61.27 -44.13 97.73 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.3 tp -63.13 -41.85 99.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.135 0.493 . . . . 1.0 110.262 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.3 m -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.961 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -44.62 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.404 -0.518 . . . . 1.0 111.732 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.53 -34.71 78.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.344 1.545 . . . . 1.0 110.577 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 980' ' ' LEU . 55.2 t -66.9 -44.43 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 119.026 -1.069 . . . . 1.0 110.777 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.77 -40.07 96.12 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 122.603 1.192 . . . . 1.0 109.569 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -64.0 -39.58 94.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 119.052 -1.059 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.561 ' CE ' HD13 ' B' ' 712' ' ' LEU . 57.8 mtt -64.0 -40.84 97.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.492 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 988' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.9 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -11.72 60.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.138 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 986' ' ' ALA . 36.8 t -90.31 -15.77 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.095 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 85.05 12.5 73.83 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.41 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 4.5 t80 -61.3 -42.26 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.969 -0.292 . . . . 1.0 110.625 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.443 ' CD1' ' CZ2' ' B' ' 715' ' ' TRP . 14.8 m-85 -87.97 -1.54 58.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.268 -0.573 . . . . 1.0 110.456 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 994' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -114.03 130.83 56.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.635 ' NH1' HG23 ' B' ' 719' ' ' ILE . 85.3 mtp180 -133.72 153.0 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -84.38 111.31 19.33 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.512 -0.875 . . . . 1.0 110.011 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.39 160.56 68.15 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--N 1.308 -1.565 0 C-N-CA 122.533 2.155 . . . . 1.0 112.111 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 109.542 -0.984 . . . . 1.0 109.542 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.95 -38.65 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.438 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 38.2 m 54.49 70.56 1.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -53.96 -37.81 86.14 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.959 2.439 . . . . 1.0 112.244 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -41.61 99.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.401 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 98.31 -164.96 21.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.43 145.44 98.08 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.826 2.351 . . . . 1.0 111.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -90.69 -2.21 57.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.248 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.441 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.4 tt -66.24 -39.52 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.441 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.3 mt -62.07 -41.87 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.145 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.88 -44.62 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.33 -43.73 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.43 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.53 -43.83 98.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.449 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.1 -41.2 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.139 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 64.3 m -60.24 -44.53 95.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 1.0 112.061 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 17.2 m -65.71 -40.96 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.631 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.51 -40.78 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 1.0 110.402 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.93 -40.74 98.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.56 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.508 HG21 ' HA3' ' A' ' 976' ' ' GLY . 94.1 mt -63.74 -43.4 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.406 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.01 -42.9 99.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.04 -42.05 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.231 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.51 -43.73 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.977 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.23 99.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.494 -1.042 . . . . 1.0 110.494 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.19 -42.55 99.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.379 . . . . 1.0 110.223 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.87 81.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.572 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.27 85.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.561 HD13 ' CE ' ' A' ' 987' ' ' MET . 50.9 tp -62.2 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.25 -41.66 99.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.085 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.15 -43.78 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.819 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 993' ' ' PHE . 2.0 t90 -59.51 -43.92 93.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.196 0.522 . . . . 1.0 109.665 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.33 98.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 1.0 110.139 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.79 -39.76 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.143 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.67 -42.62 99.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.122 -0.631 . . . . 1.0 111.298 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.635 HG23 ' NH1' ' A' ' 995' ' ' ARG . 90.7 mt -63.97 -43.85 97.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 120.391 -0.524 . . . . 1.0 109.895 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -61.63 -44.97 95.99 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 120.886 0.374 . . . . 1.0 111.248 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.62 -45.04 99.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.234 -0.986 . . . . 1.0 110.747 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -66.26 -39.65 89.6 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.857 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.549 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.4 m-20 -64.76 -37.13 86.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 1.0 110.792 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 57.94 58.52 3.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.205 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.95 -42.24 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.468 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.92 138.7 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.965 -1.016 . . . . 1.0 110.44 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 957' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 963' ' ' ALA . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.52 86.97 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 959' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 960' ' ' GLU . 89.3 mt -110.44 132.08 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.294 -0.866 . . . . 1.0 109.37 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 959' ' ' LEU . 97.3 mt-10 57.06 123.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.033 0.444 . . . . 1.0 110.773 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -65.39 -38.55 90.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.91 -43.19 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.164 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 957' ' ' GLY . . . -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.417 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 967' ' ' TRP . 16.6 pt -147.39 60.88 5.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.441 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.46 -12.46 34.9 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.882 2.388 . . . . 1.0 112.199 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.92 -22.67 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.609 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.637 ' O ' HG23 ' A' ' 971' ' ' VAL . 77.9 m95 -61.92 -38.39 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.158 -0.617 . . . . 1.0 111.536 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.475 ' O ' HD13 ' B' ' 697' ' ' LEU . 98.0 m95 -60.66 -47.61 85.5 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.216 0.45 . . . . 1.0 112.216 -178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.29 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.275 -0.57 . . . . 1.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.93 -42.32 99.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.296 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 971' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 967' ' ' TRP . 71.8 t -62.89 -44.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.986 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.04 97.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.681 -0.568 . . . . 1.0 111.681 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.24 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.569 -0.452 . . . . 1.0 110.726 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.61 -40.72 97.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.627 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.29 98.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.585 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.63 -39.6 97.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.334 -1.107 . . . . 1.0 110.334 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.25 -40.94 98.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.049 0.452 . . . . 1.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.12 -41.28 98.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.811 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.3 tp -64.14 -42.47 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.676 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.0 m -62.7 -47.48 83.42 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.1 tt -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.147 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.02 -41.54 99.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 1.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 980' ' ' LEU . 64.5 t -62.08 -44.73 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.016 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.51 -42.03 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.96 -40.93 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.639 -0.425 . . . . 1.0 110.661 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.713 ' SD ' HD22 ' B' ' 712' ' ' LEU . 66.5 mtt -66.42 -38.16 86.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.908 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 10.8 t90 -58.21 -40.39 81.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 1.0 110.337 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -12.16 61.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 986' ' ' ALA . 58.8 t -91.26 -0.61 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.004 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 89.99 14.34 59.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.447 ' CD2' ' CE2' ' A' ' 993' ' ' PHE . 3.3 t80 -60.76 -43.01 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.639 0.257 . . . . 1.0 111.005 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.447 ' CE2' ' CD2' ' A' ' 992' ' ' PHE . 55.2 m-85 -97.5 -4.09 38.63 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.453 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 994' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.0 mttt -131.53 139.56 49.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.474 . . . . 1.0 111.226 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.545 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 78.6 mtp85 -140.06 154.24 47.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -85.19 111.69 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.7 -0.8 . . . . 1.0 110.084 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -93.27 156.62 39.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.447 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 112.156 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.484 0.964 0 N-CA-C 109.579 -0.969 . . . . 1.0 109.579 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 686' ' ' GLU . . . . . 0.416 ' O ' ' OG ' ' B' ' 687' ' ' SER . 97.2 mt-10 -119.0 133.89 55.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 687' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 686' ' ' GLU . 2.8 p 50.08 73.79 0.92 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.59 145.57 97.59 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.835 2.356 . . . . 1.0 111.998 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -110.98 145.63 38.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 46.95 -170.75 0.04 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -61.79 144.98 97.46 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.892 2.395 . . . . 1.0 112.086 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.83 113.3 24.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.118 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 45.7 pt -67.05 -22.65 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.25 -43.48 97.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.816 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.11 -44.21 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.13 -45.14 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.851 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 968' ' ' TRP . 50.7 tp -61.97 -43.93 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.891 -0.324 . . . . 1.0 110.502 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.53 -43.35 97.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.8 m -60.84 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.87 -46.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.911 -0.316 . . . . 1.0 110.888 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 96.9 mtp -63.26 -43.09 98.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.428 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.71 -42.45 93.21 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.832 -0.699 . . . . 1.0 111.669 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.42 92.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.68 -0.408 . . . . 1.0 111.26 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.585 HG21 ' HA3' ' A' ' 976' ' ' GLY . 97.0 mt -64.52 -43.7 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.827 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.934 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.12 -43.58 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.86 -0.336 . . . . 1.0 110.898 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.388 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -64.1 -46.87 90.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.74 -43.04 97.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 111.229 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.5 97.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.789 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.8 -42.39 95.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.48 -0.488 . . . . 1.0 110.871 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.713 HD22 ' SD ' ' A' ' 987' ' ' MET . 88.3 mt -63.82 -42.17 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.045 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.0 -42.73 99.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.571 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.48 -43.99 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.328 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -63.66 -46.02 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.395 0.617 . . . . 1.0 109.91 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.02 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 1.0 109.768 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.019 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.38 -42.79 99.69 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.042 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.36 -44.14 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.06 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.9 m -58.78 -43.33 90.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.184 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.74 -44.43 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.978 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -65.69 -39.72 91.58 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.755 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.545 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 91.8 m-20 -62.65 -42.02 99.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.69 -39.58 93.91 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.79 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.693 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.6 t80 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.503 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.583 -1.407 . . . . 1.0 109.583 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.55 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.675 0.274 . . . . 1.0 110.664 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.84 130.39 55.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.376 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.0 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.28 138.02 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -75.15 145.45 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.19 35.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 964' ' ' ILE . 0.0 OUTLIER -94.34 156.08 39.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.164 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.76 -16.74 51.09 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.409 2.073 . . . . 1.0 112.257 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.84 -24.87 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.618 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -59.83 -39.2 84.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.16 -40.44 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.547 HG13 HG21 ' B' ' 700' ' ' VAL . 51.8 t -64.03 -44.24 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.48 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.11 -41.49 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.301 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.46 -45.1 99.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.479 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.24 99.78 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.189 -0.764 . . . . 1.0 111.189 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.517 HG23 HG11 ' B' ' 700' ' ' VAL . 49.4 t -63.55 -44.49 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.0 110.551 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.4 -41.21 98.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 1.0 110.674 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.67 93.57 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.479 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.06 -42.88 99.75 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.35 -40.32 96.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.987 0.422 . . . . 1.0 109.981 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.8 -41.83 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.25 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.6 tt -61.36 -45.06 95.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 1.0 110.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.8 tp -64.49 -41.68 96.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.616 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 87.5 m -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.68 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 44.0 pt -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.202 -0.599 . . . . 1.0 111.544 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.79 -41.5 99.29 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.01 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 980' ' ' LEU . 70.3 t -62.64 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.51 -41.96 99.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.182 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.2 -41.11 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.346 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 10.6 t90 -61.36 -40.7 95.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.248 0.546 . . . . 1.0 109.818 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -11.69 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.208 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.5 t -89.49 -16.02 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.89 0.376 . . . . 1.0 110.213 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.64 10.6 72.82 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.23 -42.73 99.11 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.549 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.469 ' CE1' ' CE2' ' B' ' 715' ' ' TRP . 67.5 m-85 -87.45 -2.69 58.79 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.747 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.64 141.43 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.291 -0.563 . . . . 1.0 109.869 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.531 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 18.3 mmm180 -134.76 152.7 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -84.73 111.48 19.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.513 -0.875 . . . . 1.0 109.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.06 160.56 60.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--N 1.309 -1.542 0 C-N-CA 122.516 2.144 . . . . 1.0 112.095 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 N--CA 1.484 0.921 0 N-CA-C 109.547 -0.982 . . . . 1.0 109.547 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.02 -38.92 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.463 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 10.9 t -176.16 73.43 0.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.58 145.39 97.77 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.921 2.414 . . . . 1.0 111.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -141.13 151.14 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.771 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.627 ' O ' HG22 ' B' ' 693' ' ' ILE . . . 171.18 71.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.64 -34.64 84.18 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.183 2.589 . . . . 1.0 112.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.83 -11.19 54.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.25 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.627 HG22 ' O ' ' B' ' 690' ' ' GLY . 20.3 tt -65.27 -39.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.432 ' N ' HG23 ' B' ' 693' ' ' ILE . 91.4 mt -63.19 -41.09 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 1.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.72 -42.64 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.35 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.0 -44.53 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.75 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.65 -43.65 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.561 -0.456 . . . . 1.0 109.977 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.46 -41.46 98.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.881 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.9 m -60.42 -42.55 96.25 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.019 -0.273 . . . . 1.0 111.176 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.547 HG21 HG13 ' A' ' 969' ' ' VAL . 89.3 t -63.56 -45.33 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.933 0.397 . . . . 1.0 110.074 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -62.35 -40.12 95.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.803 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -39.89 98.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 1.0 111.439 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.3 96.65 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.091 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.479 HG21 ' HA3' ' A' ' 976' ' ' GLY . 47.8 mm -65.96 -43.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 1.0 111.063 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.404 ' CD2' HD13 ' A' ' 979' ' ' LEU . 88.0 mt -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.773 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.54 -42.62 99.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.096 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -43.59 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.12 92.8 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.741 -0.742 . . . . 1.0 111.335 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.31 -39.24 93.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.362 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.04 99.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.865 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.67 94.64 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.734 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.65 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.469 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.15 -44.02 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.266 0.555 . . . . 1.0 109.529 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -44.75 92.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.78 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 97.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.738 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.63 -45.31 93.43 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.84 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.5 tt -68.67 -37.43 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.754 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.4 m -60.66 -42.1 96.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.164 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 721' ' ' ILE . . . . . 0.453 ' CG2' ' NZ ' ' B' ' 725' ' ' LYS . 92.8 mt -62.68 -43.37 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.131 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -64.89 -37.69 88.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.686 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.531 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 68.1 m-20 -66.36 -37.75 86.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.258 -0.577 . . . . 1.0 109.665 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.45 -43.43 98.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.409 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 725' ' ' LYS . . . . . 0.453 ' NZ ' ' CG2' ' B' ' 721' ' ' ILE . 63.4 mttp -63.06 -42.11 99.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.72 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.47 -39.55 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.777 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.493 ' O ' ' CD2' ' B' ' 727' ' ' PHE . 89.1 t80 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 957' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 958' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.434 ' CB ' ' OE2' ' A' ' 961' ' ' GLU . . . 58.47 124.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 1.0 110.721 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 959' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 960' ' ' GLU . 40.3 tp -111.87 125.82 54.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 959' ' ' LEU . 97.3 mt-10 35.94 70.2 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.205 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.434 ' OE2' ' CB ' ' A' ' 958' ' ' ALA . 97.7 mt-10 -64.59 131.72 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.328 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.06 -43.12 99.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.135 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.11 19.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.665 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 2.5 mt 63.29 77.65 0.32 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.744 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -61.53 146.63 96.81 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.559 2.172 . . . . 1.0 111.993 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.3 pt -77.13 -15.07 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.099 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -58.96 -39.35 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.45 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.684 ' HB3' HD21 ' B' ' 697' ' ' LEU . 98.8 m95 -61.14 -39.16 89.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.481 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 973' ' ' VAL . 57.4 t -63.76 -43.94 98.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.381 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.75 -41.92 98.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.84 -44.99 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.431 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.05 94.15 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 969' ' ' VAL . 73.7 t -62.92 -44.7 99.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 1.0 110.453 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.64 -41.88 99.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.38 -39.61 97.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.746 -0.942 . . . . 1.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.528 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.2 -39.08 96.77 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.93 -40.51 97.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.981 0.419 . . . . 1.0 109.971 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.16 -41.51 98.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.707 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.5 tt -61.25 -44.39 97.33 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.341 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.53 -41.93 98.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.162 0.506 . . . . 1.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 76.0 m -61.94 -43.84 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.702 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.65 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.663 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.62 -41.35 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.534 -0.466 . . . . 1.0 111.157 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.85 -47.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.707 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.71 -41.44 98.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -61.08 -44.71 96.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.371 -0.532 . . . . 1.0 110.65 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.79 -40.34 91.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 1.0 110.122 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.44 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.0 t90 -62.81 -41.59 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.199 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -12.08 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.195 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.4 t -89.54 -18.24 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.84 11.21 81.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.84 -42.14 98.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.685 0.278 . . . . 1.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.52 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.7 m-85 -96.02 -0.51 50.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.895 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -111.13 129.89 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 1.0 110.466 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.57 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.3 mtt180 -133.55 152.64 51.93 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -84.98 111.2 19.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.858 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 160.91 61.56 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.454 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 C--N 1.309 -1.511 0 C-N-CA 122.614 2.209 . . . . 1.0 112.117 -179.761 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 109.44 -1.023 . . . . 1.0 109.44 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.19 -38.35 87.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.534 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 5.9 m -140.37 73.42 30.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.49 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.79 145.37 97.26 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.839 2.359 . . . . 1.0 111.94 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.9 144.78 50.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.58 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.33 -164.87 1.75 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.62 145.58 97.51 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.822 2.348 . . . . 1.0 112.008 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.87 144.06 54.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.491 HG23 HD22 ' B' ' 694' ' ' LEU . 21.3 tt -64.72 -24.39 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.929 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.491 HD22 HG23 ' B' ' 693' ' ' ILE . 4.3 mm? -61.91 -42.12 98.72 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -64.01 -44.05 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.727 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.41 -44.5 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.684 HD21 ' HB3' ' A' ' 968' ' ' TRP . 36.6 mt -62.15 -42.52 99.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.599 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.46 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.0 m -61.51 -45.8 92.67 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.518 0.562 . . . . 1.0 112.518 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.252 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -63.24 -40.04 96.32 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.06 0.457 . . . . 1.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.86 -38.13 95.67 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.79 96.16 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.528 HG21 ' HA3' ' A' ' 976' ' ' GLY . 46.8 mm -61.79 -43.34 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.403 0.62 . . . . 1.0 110.471 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.417 HD21 HD13 ' A' ' 979' ' ' LEU . 91.3 mt -61.76 -39.84 93.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.542 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.23 -42.89 99.39 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.27 -42.31 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-O 122.187 0.994 . . . . 1.0 109.424 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.16 97.92 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.031 -1.628 . . . . 1.0 109.031 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.45 -42.67 98.65 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.461 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.24 93.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.69 94.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.3 -42.75 99.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.888 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.629 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.52 -43.89 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.52 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -62.39 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.806 0.812 . . . . 1.0 108.935 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.93 91.66 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.364 -0.835 . . . . 1.0 109.697 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.14 -42.41 99.47 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.015 -0.674 . . . . 1.0 111.042 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.01 -45.15 94.87 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.965 0.412 . . . . 1.0 111.834 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 993' ' ' PHE . 20.7 tt -68.5 -35.95 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.604 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 17.0 m -60.43 -44.82 95.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.562 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.72 99.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 120.051 -0.66 . . . . 1.0 110.241 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -67.29 -39.17 85.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.655 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.57 ' CG ' HH12 ' A' ' 995' ' ' ARG . 66.1 t0 -61.81 -42.0 98.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.11 0.481 . . . . 1.0 110.569 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -61.65 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.19 -42.43 99.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.954 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.25 -38.99 89.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 1.0 110.497 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.917 -1.039 . . . . 1.0 110.466 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.23 143.17 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.63 -42.67 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.28 137.16 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -121.31 135.27 55.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.7 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.502 ' HB1' ' HD3' ' A' ' 965' ' ' PRO . . . -67.49 143.62 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 965' ' ' PRO . 4.5 pt -132.73 43.34 1.04 Allowed Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 964' ' ' ILE . 28.7 Cg_endo -62.38 -29.23 79.12 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.588 2.192 . . . . 1.0 112.444 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 967' ' ' TRP . 20.7 tt -68.57 -40.51 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.723 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.484 ' N ' HG23 ' A' ' 966' ' ' ILE . 89.6 m95 -58.07 -38.34 76.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.45 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -60.5 -37.99 82.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.819 -0.353 . . . . 1.0 111.007 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 973' ' ' VAL . 54.4 t -62.64 -45.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.679 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 970' ' ' LEU . 11.3 mp -62.65 -41.05 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.391 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.86 -45.47 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.207 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.91 -38.36 95.98 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.579 -1.008 . . . . 1.0 110.579 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.8 t -63.17 -44.49 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 1.0 110.446 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.13 -42.87 99.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.28 -34.63 90.47 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.964 -1.254 . . . . 1.0 109.964 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.508 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -63.31 -37.21 94.5 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.41 -41.04 98.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.84 -40.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.265 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.03 -45.11 96.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.638 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.487 HD13 ' HA2' ' B' ' 708' ' ' GLY . 53.9 tp -64.53 -42.49 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.2 m -63.22 -45.54 91.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.67 -0.696 . . . . 1.0 111.178 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.36 -44.3 98.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 120.912 -0.315 . . . . 1.0 111.033 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.415 ' CD2' HD11 ' B' ' 712' ' ' LEU . 56.5 tp -63.04 -43.44 98.68 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.312 0.577 . . . . 1.0 110.457 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 980' ' ' LEU . 63.1 t -64.81 -41.01 91.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.184 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.02 -43.16 99.43 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.48 -0.888 . . . . 1.0 111.298 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.75 90.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.231 -0.588 . . . . 1.0 110.363 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.53 -41.22 93.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.806 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.0 t90 -60.8 -39.28 88.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.78 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -11.71 41.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.119 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -89.05 -20.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.381 -0.528 . . . . 1.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.64 2.07 87.58 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.01 -42.52 99.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 1.0 111.383 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -91.26 -3.56 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.394 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -111.37 125.67 54.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.903 0.383 . . . . 1.0 110.0 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.522 HH12 ' CG ' ' B' ' 723' ' ' ASP . 95.0 mtt180 -138.38 153.68 48.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -84.65 111.61 19.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.727 -0.789 . . . . 1.0 109.904 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -97.36 149.8 36.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.454 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 N--CA 1.488 1.164 0 C-N-CA 122.308 2.005 . . . . 1.0 112.3 179.849 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 N--CA 1.483 0.891 0 N-CA-C 109.58 -0.969 . . . . 1.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.92 -38.98 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 73.4 p 47.31 73.23 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.64 145.34 97.66 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.853 2.369 . . . . 1.0 111.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.3 -37.17 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 112.05 166.4 17.68 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.21 154.15 61.86 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.189 2.593 . . . . 1.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.1 144.14 55.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.242 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.75 -26.03 39.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.004 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.96 -41.04 97.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.059 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.88 -44.53 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.71 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.609 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -41.85 99.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.689 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.33 -42.19 98.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.091 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 59.2 m -60.8 -42.01 96.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.61 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.97 -41.46 99.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.89 -41.02 98.89 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.332 -0.707 . . . . 1.0 111.332 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.624 0.25 . . . . 1.0 111.336 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.508 HD13 ' HA3' ' A' ' 976' ' ' GLY . 87.2 mt -63.42 -44.24 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.02 -41.64 99.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.65 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.227 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.29 -43.98 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.202 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 708' ' ' GLY . . . . . 0.487 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -63.55 -42.51 98.85 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.492 -1.043 . . . . 1.0 110.492 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.7 -42.16 98.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 1.0 110.702 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.45 93.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.115 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.43 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.258 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 983' ' ' LEU . 92.8 mt -63.72 -41.32 98.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.505 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.27 -42.44 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.26 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.22 -43.81 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.244 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -62.17 -45.13 94.78 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.689 0.757 . . . . 1.0 109.302 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -38.86 92.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.69 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.69 -41.57 97.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.42 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.06 -44.13 97.35 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.683 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.437 HG23 ' CZ ' ' A' ' 995' ' ' ARG . 96.2 mt -65.25 -41.82 92.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.306 0 CA-C-O 122.4 1.095 . . . . 1.0 110.797 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 35.8 m -60.81 -44.88 96.29 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.894 -1.048 . . . . 1.0 111.774 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 721' ' ' ILE . . . . . 0.41 HG13 ' N ' ' B' ' 722' ' ' HIS . 38.6 pt -63.88 -42.41 95.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.095 -1.042 . . . . 1.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 722' ' ' HIS . . . . . 0.41 ' N ' HG13 ' B' ' 721' ' ' ILE . 71.1 m80 -67.11 -38.25 85.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.464 -0.894 . . . . 1.0 111.097 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.522 ' CG ' HH12 ' A' ' 995' ' ' ARG . 54.2 m-20 -66.3 -37.8 86.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.005 0.431 . . . . 1.0 111.095 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 58.73 58.23 3.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.097 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.61 -42.2 99.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.694 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.9 146.7 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.484 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.715 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.605 -1.398 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.95 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 1.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.38 130.25 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.363 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.17 137.23 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.18 -38.22 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.291 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.84 147.77 43.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.678 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -116.69 148.64 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 964' ' ' ILE . 16.0 mt -118.77 86.83 31.17 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.762 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.99 -20.68 61.61 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 123.079 2.519 . . . . 1.0 112.232 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.18 -24.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 112.18 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -58.31 -38.93 78.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.871 -0.731 . . . . 1.0 110.259 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -61.05 -38.74 87.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.02 0.438 . . . . 1.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 973' ' ' VAL . 59.6 t -64.69 -43.78 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.702 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.936 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.85 -41.21 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.406 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.0 -38.67 96.36 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.5 t -62.41 -45.29 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 1.0 110.4 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.28 -42.6 99.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.297 -0.41 . . . . 1.0 109.962 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.52 76.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.2 -36.34 90.44 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 977' ' ' LEU . 11.3 mp -61.71 -38.65 88.65 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.134 0.493 . . . . 1.0 109.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.84 -39.13 90.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.81 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.405 HD21 HD21 ' B' ' 705' ' ' LEU . 31.3 tp -60.87 -45.91 92.69 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.174 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.521 HD13 ' HA2' ' B' ' 708' ' ' GLY . 54.0 tp -65.07 -41.7 94.82 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.927 -0.709 . . . . 1.0 109.854 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.9 m -61.57 -44.5 96.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.908 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -43.73 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.471 -0.492 . . . . 1.0 110.982 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.329 -0.548 . . . . 1.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 980' ' ' LEU . 62.8 t -64.23 -44.12 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.866 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.16 -42.54 99.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.329 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.83 99.75 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.725 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.76 -41.29 92.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.0 0.428 . . . . 1.0 110.741 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -62.32 -39.8 94.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.445 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -11.79 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.069 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.28 -19.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.516 -0.474 . . . . 1.0 110.138 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 81.53 6.32 89.26 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.362 -1.095 . . . . 1.0 110.362 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.64 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.823 0.344 . . . . 1.0 110.746 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.429 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 74.2 m-85 -95.58 0.65 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.169 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -88.07 130.99 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.209 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.521 HH22 ' CG ' ' B' ' 723' ' ' ASP . 28.2 mmt85 -137.24 153.36 50.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -84.87 111.34 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.638 -0.825 . . . . 1.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.04 160.46 26.36 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.308 -1.572 0 C-N-CA 122.641 2.227 . . . . 1.0 112.05 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 109.646 -0.944 . . . . 1.0 109.646 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -134.48 146.69 49.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.5 175.15 2.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -53.82 -38.37 85.46 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.067 1.845 . . . . 1.0 112.079 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.09 145.01 50.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.54 ' O ' HG22 ' B' ' 693' ' ' ILE . . . -145.02 172.73 25.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.89 -18.33 52.4 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.023 2.482 . . . . 1.0 111.385 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.59 -37.51 81.58 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.524 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.54 HG22 ' O ' ' B' ' 690' ' ' GLY . 19.5 tt -66.02 -40.36 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.447 ' N ' HG23 ' B' ' 693' ' ' ILE . 91.3 mt -62.54 -42.15 99.35 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.98 -44.83 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.125 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.6 -44.44 98.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.482 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.043 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -40.57 96.67 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.592 0.71 . . . . 1.0 109.791 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.7 m -62.94 -39.87 95.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.223 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.95 -45.31 99.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.27 -40.7 98.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.38 96.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.17 95.22 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.405 HD21 HD21 ' A' ' 979' ' ' LEU . 85.0 mt -64.16 -41.7 97.05 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.751 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.68 -44.11 97.08 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.809 -178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 21.4 tt -70.31 -39.95 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.851 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 708' ' ' GLY . . . . . 0.521 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -60.95 -43.25 99.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.25 -40.74 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 1.0 110.643 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.19 90.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.603 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.06 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.13 -42.09 99.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.332 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.05 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.83 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.42 -43.81 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 1.0 109.994 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.429 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 2.1 t90 -61.8 -45.02 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.784 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.68 -42.87 97.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.313 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.98 -45.1 94.03 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.52 HD11 ' NH2' ' A' ' 995' ' ' ARG . 21.0 tt -69.4 -38.5 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 96.2 m -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.396 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.41 -43.75 98.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 1.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -63.97 -38.8 92.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.712 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.0 m-20 -65.25 -40.82 94.49 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.365 0.602 . . . . 1.0 109.94 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.73 -43.67 98.41 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.725 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 725' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' B' ' 727' ' ' PHE . 88.8 tttt -62.77 -42.97 99.93 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 49.12 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.495 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' B' ' 725' ' ' LYS . 89.1 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.14 -0.933 . . . . 1.0 110.407 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.526 -1.43 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -150.62 152.14 33.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.697 0.284 . . . . 1.0 110.481 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.2 126.19 54.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -118.7 131.43 56.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.56 137.29 57.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 38.49 81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 964' ' ' ILE . . . -65.39 -37.87 88.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.496 HD12 ' CD1' ' A' ' 967' ' ' TRP . 28.4 pt 35.14 59.59 2.51 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.168 0.508 . . . . 1.0 111.228 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.35 -11.59 28.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.926 2.417 . . . . 1.0 112.607 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.4 pt -62.63 -23.92 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.92 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.555 ' O ' HG23 ' A' ' 971' ' ' VAL . 87.1 m95 -62.15 -38.48 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.376 -0.53 . . . . 1.0 111.482 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.61 -47.62 84.61 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.354 0.501 . . . . 1.0 112.354 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.43 -35.84 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.036 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 971' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 967' ' ' TRP . 75.7 t -64.15 -43.76 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.088 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.14 98.56 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.143 -0.551 . . . . 1.0 112.539 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 16.8 m -65.12 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.589 0.694 . . . . 1.0 110.387 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.85 -41.44 99.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.22 -26.54 67.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -59.25 -40.65 96.13 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.54 -42.41 99.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.707 -0.397 . . . . 1.0 109.997 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 978' ' ' LEU . 11.0 mp -63.19 -41.39 99.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.61 -42.19 99.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.813 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 984' ' ' VAL . 45.9 tp -66.38 -39.99 89.43 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.184 1.468 . . . . 1.0 109.291 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 49.2 m -64.52 -44.22 91.55 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.269 -0.973 . . . . 1.0 111.552 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.14 -45.0 99.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.26 -41.59 99.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.284 0.564 . . . . 1.0 110.111 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 980' ' ' LEU . 68.8 t -64.36 -43.45 97.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.727 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.43 -43.64 98.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.911 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.64 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.7 -39.89 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 1.0 110.911 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.461 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.5 t90 -60.53 -39.7 88.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.336 0.588 . . . . 1.0 109.964 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -12.31 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.969 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 986' ' ' ALA . 79.9 t -91.16 -12.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 12.47 69.73 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.23 -42.79 99.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.441 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -87.86 -3.48 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.501 -0.479 . . . . 1.0 111.122 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -102.13 123.92 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.559 HH12 ' CG ' ' B' ' 723' ' ' ASP . 76.1 ttt180 -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -84.43 111.47 19.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.458 -0.897 . . . . 1.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.34 160.88 26.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--N 1.309 -1.516 0 C-N-CA 122.739 2.293 . . . . 1.0 112.106 -179.81 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.483 0.902 0 N-CA-C 109.586 -0.967 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 34.2 t 53.11 70.63 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.08 -37.59 86.9 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.038 2.492 . . . . 1.0 112.084 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.81 -41.98 98.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.519 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -122.2 81.89 0.35 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.0 -38.35 86.67 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.557 2.172 . . . . 1.0 112.37 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.15 140.9 54.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.061 0.458 . . . . 1.0 110.709 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.27 -26.65 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.553 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.52 -44.16 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.052 0.453 . . . . 1.0 110.024 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.77 -44.45 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.23 -43.58 98.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.15 -42.3 96.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.618 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.3 m -60.89 -44.76 96.68 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.65 -37.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.56 -0.456 . . . . 1.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.63 -40.87 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.613 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.27 97.41 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.73 92.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.728 0.299 . . . . 1.0 111.054 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.39 -43.48 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.272 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.25 -42.1 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.48 -43.63 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.11 99.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.88 -41.81 99.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 1.0 110.32 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.914 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 110.687 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.39 -40.91 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.096 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.48 -41.74 99.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.247 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.22 -44.0 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.46 -41.95 86.33 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.987 0.898 . . . . 1.0 109.152 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.458 ' CE ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -61.01 -41.53 96.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' B' ' 717' ' ' LEU . 89.5 mt -62.09 -39.86 93.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.599 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.22 -40.83 95.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 119.909 -0.716 . . . . 1.0 110.698 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.55 -42.77 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.389 0.614 . . . . 1.0 109.619 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 720' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' B' ' 716' ' ' LYS . 14.2 m -62.09 -43.44 98.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.592 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.9 -45.47 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.885 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -62.66 -38.65 91.16 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.047 0.451 . . . . 1.0 110.76 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.559 ' CG ' HH12 ' A' ' 995' ' ' ARG . 52.4 m-20 -66.47 -40.14 89.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.346 -0.541 . . . . 1.0 109.592 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -62.12 -43.03 99.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.202 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.3 138.33 58.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.936 -1.03 . . . . 1.0 110.706 -179.865 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.572 -1.411 . . . . 1.0 109.572 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.28 143.36 56.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 1.0 110.627 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 959' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 959' ' ' LEU . 11.1 mp -62.77 -41.5 99.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -62.9 142.07 58.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.97 135.94 53.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.524 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -64.3 -39.43 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.76 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -133.1 144.44 49.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.889 0.376 . . . . 1.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.688 ' H ' ' CD ' ' A' ' 965' ' ' PRO . 0.4 OUTLIER -111.97 -38.59 0.11 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.642 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.688 ' CD ' ' H ' ' A' ' 964' ' ' ILE . 43.2 Cg_exo -56.97 -30.26 85.68 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.873 2.382 . . . . 1.0 113.064 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.4 pt -59.28 -39.85 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.482 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -58.05 -38.08 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -62.03 -38.26 88.01 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.489 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 973' ' ' VAL . 44.0 t -62.63 -44.63 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -40.61 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.144 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.63 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.2 93.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 969' ' ' VAL . 72.5 t -62.61 -44.43 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 1.0 110.267 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -41.74 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.875 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.25 -37.41 94.83 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.117 -1.193 . . . . 1.0 110.117 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.603 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.04 -37.75 95.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.54 -41.81 99.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 978' ' ' LEU . 90.2 mt -62.51 -40.11 95.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.384 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.702 HD13 HD21 ' B' ' 705' ' ' LEU . 78.4 mt -61.15 -44.14 97.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.586 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.5 tp -64.01 -42.43 97.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.551 . . . . 1.0 110.002 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 89.0 m -62.56 -45.19 94.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.539 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.22 -44.24 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.313 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.4 -42.56 98.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.123 0.487 . . . . 1.0 109.988 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 980' ' ' LEU . 75.3 t -64.2 -43.99 97.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.23 -42.79 99.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.353 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.39 -43.26 99.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.181 -0.608 . . . . 1.0 110.851 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 96.8 mmm -64.65 -42.47 95.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.328 0.585 . . . . 1.0 110.608 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -63.68 -41.15 98.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 1.0 111.079 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -12.58 60.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.957 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 986' ' ' ALA . 36.0 t -89.4 -19.13 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.717 -0.475 . . . . 1.0 109.717 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.17 12.12 81.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 110.287 -1.125 . . . . 1.0 110.287 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -42.34 99.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.657 -1.238 . . . . 1.0 107.657 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -86.04 -3.34 58.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.677 -0.692 . . . . 1.0 111.614 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.68 124.37 34.54 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.448 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' B' ' 723' ' ' ASP . 80.1 mtp85 -140.73 153.55 45.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -84.28 112.17 20.06 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.022 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.52 160.59 26.12 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.345 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.306 -1.676 0 C-N-CA 122.458 2.105 . . . . 1.0 112.049 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.485 1.0 0 N-CA-C 109.54 -0.984 . . . . 1.0 109.54 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.98 -38.76 89.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.475 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 14.5 m 49.52 72.5 1.23 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -61.53 145.28 97.99 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.767 2.311 . . . . 1.0 111.976 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.57 -44.31 96.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -164.78 -169.03 27.82 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.19 143.55 94.54 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.483 2.122 . . . . 1.0 112.43 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.06 -40.93 97.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.383 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.454 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.9 tt -65.54 -38.89 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.5 tp -61.64 -43.01 99.65 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.111 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.5 -44.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.623 ' O ' HG13 ' B' ' 700' ' ' VAL . 73.7 t -64.12 -44.25 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.657 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.97 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.26 -42.47 99.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 63.8 m -61.3 -44.53 97.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.623 HG13 ' O ' ' B' ' 696' ' ' VAL . 1.5 m -65.77 -41.97 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.735 -0.786 . . . . 1.0 110.12 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' B' ' 700' ' ' VAL . 94.1 mtp -63.49 -40.97 98.5 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.66 -41.35 99.07 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.218 -0.753 . . . . 1.0 111.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.6 94.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.314 0.578 . . . . 1.0 110.686 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.603 HG21 ' HA3' ' A' ' 976' ' ' GLY . 97.4 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.257 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 979' ' ' LEU . 71.3 mt -61.73 -41.34 97.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.729 -0.471 . . . . 1.0 109.729 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.01 -43.59 98.34 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.48 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.56 -46.08 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.726 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.36 98.88 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.127 -1.035 . . . . 1.0 110.978 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.72 -42.63 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.489 . . . . 1.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.04 95.52 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.738 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.99 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.549 -0.461 . . . . 1.0 110.816 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.68 -41.79 98.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.513 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.92 -42.41 99.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.44 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.38 -43.77 96.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.418 0.627 . . . . 1.0 109.332 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.51 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 1.0 109.693 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.12 -41.11 97.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.732 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.76 -36.39 83.73 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 122.134 0.969 . . . . 1.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' B' ' 723' ' ' ASP . 75.8 mt -69.52 -43.18 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.33 -1.348 . . . . 1.0 111.227 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -64.3 -48.14 76.79 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.4 mm -65.44 -48.43 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 119.42 -0.912 . . . . 1.0 111.576 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 722' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.9 -42.66 80.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.558 ' CG ' HH22 ' A' ' 995' ' ' ARG . 65.5 t0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.76 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 724' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' B' ' 725' ' ' LYS . 59.8 ttt85 -61.95 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.367 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 725' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' B' ' 724' ' ' ARG . 37.5 tttt 79.2 81.68 0.06 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.584 0.707 . . . . 1.0 110.506 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.13 138.7 57.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.482 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.417 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.585 -1.406 . . . . 1.0 109.585 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.16 142.75 56.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 1.0 110.523 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.89 -41.88 99.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 54.91 30.58 14.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.465 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -120.08 133.93 55.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -90.63 138.23 31.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.437 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -68.03 143.15 55.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.642 ' HA ' HD11 ' B' ' 693' ' ' ILE . 2.5 pt -144.55 72.59 15.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.31 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -61.25 144.72 98.87 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 21.3 tt -73.81 -12.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.657 -0.702 . . . . 1.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -57.46 -36.32 71.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.422 ' CD1' HD13 ' B' ' 693' ' ' ILE . 98.4 m95 -56.92 -40.28 76.04 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.379 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 973' ' ' VAL . 50.5 t -66.49 -42.73 90.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.38 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.44 -42.62 99.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.824 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.1 m -64.18 -41.24 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.177 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.61 96.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.8 t -62.63 -44.72 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.96 0.409 . . . . 1.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.17 -42.59 99.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.51 94.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.4 94.69 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.89 -40.92 99.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.572 . . . . 1.0 109.499 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.915 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.495 HD21 HD13 ' B' ' 705' ' ' LEU . 44.3 tp -61.15 -45.29 95.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.95 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.96 -42.34 94.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 1.0 110.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.8 m -62.19 -45.68 92.29 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.767 -0.652 . . . . 1.0 112.639 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 42.3 pt -65.3 -41.59 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.215 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.42 -42.54 99.52 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.206 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.59 -44.0 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.408 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.44 -42.69 99.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.449 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.36 -41.56 98.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.014 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.4 mmm -65.66 -40.63 92.63 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -64.26 -39.74 94.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.495 0.664 . . . . 1.0 110.464 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -13.42 62.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.219 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 986' ' ' ALA . 83.9 t -87.16 -15.34 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.054 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.61 71.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 3.5 t80 -61.5 -42.66 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 1.0 111.52 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.481 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 62.4 m-85 -96.31 4.61 52.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.475 -0.49 . . . . 1.0 111.549 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.38 125.5 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.857 -0.423 . . . . 1.0 109.857 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.551 HH22 ' CG ' ' B' ' 723' ' ' ASP . 41.8 ttm180 -138.32 144.03 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -84.27 111.12 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.433 -0.907 . . . . 1.0 110.094 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.83 160.74 25.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.173 -0.921 . . . . 1.0 110.507 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo . . . . . 0 C--N 1.309 -1.529 0 C-N-CA 122.613 2.209 . . . . 1.0 112.198 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 N--CA 1.483 0.889 0 N-CA-C 109.609 -0.958 . . . . 1.0 109.609 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.99 -38.56 88.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.712 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 19.1 m -130.63 76.62 77.1 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.94 -37.52 85.83 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.684 2.256 . . . . 1.0 111.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -125.24 144.91 50.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.554 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -92.07 -170.42 41.32 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.36 145.32 98.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.76 2.307 . . . . 1.0 111.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.528 ' O ' HG23 ' B' ' 696' ' ' VAL . 96.9 m-20 -74.99 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.624 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 964' ' ' ILE . 93.5 mt -63.52 -43.21 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.985 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.91 -42.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.771 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 692' ' ' ASP . 71.1 t -63.45 -44.08 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.418 -0.81 . . . . 1.0 110.773 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.33 -43.42 98.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.779 -0.369 . . . . 1.0 110.076 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.2 -42.28 99.28 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 60.7 m -60.74 -41.92 96.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.578 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 696' ' ' VAL . 54.0 t -62.01 -46.67 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -63.95 -41.14 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.53 -41.59 94.08 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.187 -0.53 . . . . 1.0 111.807 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.45 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' B' ' 704' ' ' ILE . 5.9 tp -68.24 -39.6 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.955 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 979' ' ' LEU . 51.5 tp -62.82 -42.26 99.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 1.0 110.367 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.49 -42.77 99.72 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.71 -43.85 98.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.101 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.11 99.73 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.378 -1.089 . . . . 1.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.24 -42.43 99.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 1.0 110.407 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.06 85.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.26 89.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.903 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.22 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.391 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.623 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.3 -43.92 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.481 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.4 -44.2 97.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.141 -0.689 . . . . 1.0 109.141 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.97 85.58 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.07 0.938 . . . . 1.0 109.406 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.74 -43.21 94.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.921 -1.112 . . . . 1.0 110.753 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.4 -43.21 98.17 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 112.723 0.638 . . . . 1.0 112.723 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.36 -38.75 77.91 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 119.015 -1.074 . . . . 1.0 109.646 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.4 m -60.64 -42.51 97.09 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.23 0.538 . . . . 1.0 111.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.21 -42.29 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.837 -0.539 . . . . 1.0 110.631 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -67.6 -37.69 82.91 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.562 -0.711 . . . . 1.0 110.164 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH22 ' A' ' 995' ' ' ARG . 55.2 m-20 -63.27 -39.05 93.51 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.626 -0.429 . . . . 1.0 111.507 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -64.47 -38.27 90.44 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 58.32 38.26 25.95 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.341 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -133.14 145.89 51.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.34 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.229 -0.891 . . . . 1.0 110.346 -179.706 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.75 88.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.739 0.304 . . . . 1.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.96 -41.89 99.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.47 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.79 138.13 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.9 -38.85 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.97 134.27 50.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.201 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -151.84 152.52 32.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 7.6 mt -140.29 72.52 32.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.481 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -61.7 145.42 97.45 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.897 2.398 . . . . 1.0 112.13 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 969' ' ' VAL . 45.4 pt -78.45 -14.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.71 -38.58 85.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.657 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -60.45 -46.96 88.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.0 p -68.51 -33.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.395 -0.522 . . . . 1.0 111.009 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.43 -43.88 97.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.385 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 18.9 m -65.54 -40.14 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.2 -40.31 98.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 969' ' ' VAL . 76.3 t -63.49 -44.52 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 1.0 110.264 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.43 -41.82 98.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.376 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.51 -40.58 98.89 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.31 -0.716 . . . . 1.0 111.31 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.472 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.89 -42.47 99.67 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.466 -1.054 . . . . 1.0 110.466 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.69 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.295 0.569 . . . . 1.0 110.096 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.44 -41.1 98.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.725 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.712 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.7 tt -61.06 -44.84 96.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.801 -0.36 . . . . 1.0 110.678 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.1 tp -63.18 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.086 0.469 . . . . 1.0 110.131 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.51 -44.64 95.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.605 -0.725 . . . . 1.0 112.325 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.09 -44.5 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.791 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.16 -41.86 99.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.413 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 980' ' ' LEU . 69.9 t -63.9 -44.38 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.36 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.457 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.28 96.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.485 -0.486 . . . . 1.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 66.7 mtt -65.96 -40.56 91.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 1.0 110.532 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.447 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.3 t90 -62.12 -39.57 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.398 0.618 . . . . 1.0 109.865 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -35.48 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.683 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.528 ' O ' HG12 ' A' ' 990' ' ' VAL . 48.5 t -86.49 -4.37 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.611 -0.435 . . . . 1.0 111.129 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.81 7.57 88.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.18 -41.56 98.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.937 0.399 . . . . 1.0 110.646 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 3.9 m-30 -87.27 -4.95 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.63 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 994' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 991' ' ' GLY . 75.5 mmtt -126.95 125.76 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.533 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 62.5 ttp180 -140.6 144.28 35.72 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.151 -0.685 . . . . 1.0 109.151 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -84.41 111.18 19.22 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.955 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.79 148.44 34.8 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.179 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.493 1.499 0 C-N-CA 121.984 1.789 . . . . 1.0 112.083 179.876 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo . . . . . 0 N--CA 1.483 0.876 0 N-CA-C 109.545 -0.983 . . . . 1.0 109.545 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.92 -39.28 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.37 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m 40.82 73.2 0.9 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.634 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.58 144.98 98.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.736 2.291 . . . . 1.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -82.62 143.02 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.427 ' H ' ' HD3' ' B' ' 691' ' ' PRO . . . 137.41 72.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.427 ' HD3' ' H ' ' B' ' 690' ' ' GLY . 22.4 Cg_exo -61.79 145.29 97.31 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.785 2.323 . . . . 1.0 111.775 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.02 168.67 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.463 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.7 tt -65.34 -38.75 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.021 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.463 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.7 tp -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.337 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.624 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.83 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.598 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.23 -45.66 92.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.279 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.99 -41.79 95.1 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.188 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 78.1 p -62.08 -44.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.412 0.523 . . . . 1.0 112.412 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.7 -40.67 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 119.901 -0.72 . . . . 1.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.87 -41.15 97.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.303 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.66 96.5 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.63 99.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.961 0.41 . . . . 1.0 110.632 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.472 HG21 ' HA3' ' A' ' 976' ' ' GLY . 96.6 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.714 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.444 HD21 HD13 ' A' ' 979' ' ' LEU . 77.5 mt -64.23 -41.37 97.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.453 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.99 -42.03 99.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 46.4 pt -68.35 -40.32 82.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.02 99.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.24 -42.79 99.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 1.0 110.38 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.22 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.34 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.71 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.252 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -44.17 97.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.403 ' N ' HD12 ' B' ' 713' ' ' LEU . 11.1 mp -63.43 -41.42 98.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.2 -44.25 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.319 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.428 ' CE3' ' CE2' ' A' ' 993' ' ' PHE . 2.0 t90 -62.03 -44.53 96.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.174 -0.676 . . . . 1.0 109.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -39.12 91.34 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.287 0.565 . . . . 1.0 109.753 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.47 -40.01 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.834 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.77 -42.8 98.22 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.745 0.307 . . . . 1.0 110.215 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.65 -42.7 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.987 0.422 . . . . 1.0 110.408 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.0 m -61.09 -39.39 89.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -43.06 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.618 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -64.46 -41.5 96.49 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.252 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.533 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 55.1 m-20 -61.78 -41.11 97.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.708 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 47.08 42.26 12.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.271 0.557 . . . . 1.0 109.749 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 43.16 30.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.161 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 53.57 30.47 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.648 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.665 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.425 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.48 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.8 mt -110.44 132.05 54.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.84 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.85 138.89 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.608 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.88 -38.12 87.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.442 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -66.95 136.65 55.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.248 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -64.56 142.72 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.411 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.562 HD12 ' CG2' ' A' ' 966' ' ' ILE . 0.2 OUTLIER -50.1 149.65 4.88 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.313 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.76 -16.0 45.35 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.72 2.28 . . . . 1.0 112.814 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.562 ' CG2' HD12 ' A' ' 964' ' ' ILE . 20.5 tt -62.85 -26.93 42.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.723 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -58.48 -39.97 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.09 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.5 ' CD1' HD12 ' B' ' 693' ' ' ILE . 98.1 m95 -63.4 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.59 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.88 -44.34 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.195 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -41.73 98.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.033 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.82 -44.92 99.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.32 -39.77 97.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.28 -44.27 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.961 0.41 . . . . 1.0 110.111 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -42.6 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.919 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.18 -34.14 89.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.657 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.09 -34.69 89.84 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.478 -1.049 . . . . 1.0 110.478 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.9 -40.49 95.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 1.0 110.156 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 978' ' ' LEU . 11.2 mp -62.15 -39.72 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.048 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.27 -43.85 98.2 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.971 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 984' ' ' VAL . 3.9 mm? -64.71 -39.84 94.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.774 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 96.6 m -62.06 -44.82 95.85 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.267 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.26 -44.63 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.503 -0.479 . . . . 1.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.05 -41.62 97.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.744 0.307 . . . . 1.0 110.346 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 980' ' ' LEU . 72.8 t -62.59 -44.54 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.895 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.4 -42.72 99.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.086 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.2 96.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.409 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 91.1 mmm -64.87 -41.62 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.313 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -63.04 -39.45 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.042 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.79 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.419 -0.809 . . . . 1.0 110.677 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -86.6 -17.34 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.133 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.43 9.72 84.49 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.549 -1.021 . . . . 1.0 110.549 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.765 0.793 . . . . 1.0 108.868 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -88.66 -3.09 58.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.043 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -113.95 125.02 53.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.556 HH12 ' CG ' ' B' ' 723' ' ' ASP . 10.6 tpp85 -139.79 142.51 36.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.616 -0.883 . . . . 1.0 108.616 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -84.35 111.24 19.25 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 1.0 110.025 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.14 160.58 36.74 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo . . . . . 0 C--N 1.309 -1.533 0 C-N-CA 122.654 2.236 . . . . 1.0 112.221 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo . . . . . 0 N--CA 1.482 0.828 0 N-CA-C 109.404 -1.037 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.89 -38.4 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.198 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 14.5 m -136.14 75.21 54.12 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.715 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.87 144.94 97.23 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.801 2.334 . . . . 1.0 111.897 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.6 141.48 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.586 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -106.01 158.21 15.71 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.11 -23.44 67.02 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.535 2.157 . . . . 1.0 112.104 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.5 -39.2 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.282 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 968' ' ' TRP . 32.3 mm -64.74 -43.29 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.64 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.32 -41.49 98.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.97 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 700' ' ' VAL . 31.3 m -65.36 -40.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.87 -43.64 98.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.117 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.24 -43.35 98.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 1.0 110.024 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.4 m -60.96 -42.05 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.54 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 696' ' ' VAL . 53.3 t -62.62 -45.04 99.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.2 mtp -62.73 -41.1 99.01 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.259 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.98 97.36 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.58 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.27 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.657 HG21 ' HA3' ' A' ' 976' ' ' GLY . 44.4 mm -64.01 -41.98 94.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 111.518 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.75 -42.67 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.003 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 706' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 706' ' ' LEU . 77.5 mt -62.89 -41.52 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.115 0.484 . . . . 1.0 109.855 178.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.25 -43.13 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.794 0.806 . . . . 1.0 111.007 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 708' ' ' GLY . . . . . 0.545 ' CA ' HD11 ' A' ' 980' ' ' LEU . . . -61.03 -42.04 99.65 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.032 -0.986 . . . . 1.0 111.382 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.31 -41.78 98.97 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.702 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.26 94.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.726 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.81 95.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 1.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.23 -41.42 99.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.274 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.14 -43.67 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.329 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.44 -45.8 92.35 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.184 -0.672 . . . . 1.0 109.184 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -40.54 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.585 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -42.29 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.445 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.85 -41.75 99.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.13 0.491 . . . . 1.0 110.394 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 119.751 -0.779 . . . . 1.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -63.7 -48.5 76.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 35.1 mm -63.57 -47.32 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.453 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 722' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -68.07 -43.06 79.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.892 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.556 ' CG ' HH12 ' A' ' 995' ' ' ARG . 64.7 t0 -62.77 -40.84 98.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 1.0 110.439 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 64.45 57.81 1.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 725' ' ' LYS . . . . . 0.525 ' O ' ' CE2' ' B' ' 727' ' ' PHE . 88.8 tttt -62.51 -44.57 96.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.402 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.18 138.38 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' B' ' 725' ' ' LYS . 96.3 m-85 . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 117.832 -1.08 . . . . 1.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.82 88.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 1.0 110.66 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.46 141.92 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -132.4 146.03 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.318 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.69 -40.92 92.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -102.93 131.93 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.647 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -107.98 -19.89 13.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.807 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 1.6 pt -136.71 79.57 39.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.755 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -60.34 144.17 99.5 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.308 2.005 . . . . 1.0 112.464 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.8 tt -67.95 -24.2 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.803 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.441 ' O ' HG23 ' A' ' 971' ' ' VAL . 98.9 m95 -56.26 -36.98 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.527 -177.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.772 ' CD1' HD11 ' B' ' 693' ' ' ILE . 98.7 m95 -58.51 -43.62 89.17 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.374 -0.531 . . . . 1.0 110.51 -179.695 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 973' ' ' VAL . 48.5 t -65.01 -43.27 96.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.082 0.468 . . . . 1.0 110.382 178.783 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.06 -41.14 97.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 971' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 967' ' ' TRP . 61.9 t -60.8 -45.18 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.339 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.64 92.26 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 969' ' ' VAL . 56.5 t -62.91 -44.77 99.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.484 0.183 . . . . 1.0 111.301 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.37 -40.98 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.6 -41.51 99.59 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.512 -1.035 . . . . 1.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.56 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.66 -38.22 95.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 1.0 110.267 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.19 -41.04 97.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.373 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' B' ' 705' ' ' LEU . 39.9 tp -61.66 -44.29 97.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.864 -0.334 . . . . 1.0 111.135 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 984' ' ' VAL . 53.6 tp -63.82 -42.17 97.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.905 0.383 . . . . 1.0 110.358 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 91.9 m -62.31 -45.25 94.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.139 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.5 -43.75 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.863 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.655 HD21 HD12 ' B' ' 712' ' ' LEU . 53.3 tp -62.51 -43.25 99.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 1.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 980' ' ' LEU . 73.1 t -63.82 -44.59 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.627 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.4 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.106 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.25 -41.86 98.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.586 -0.446 . . . . 1.0 111.106 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.6 mtp -65.8 -39.99 91.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.217 0.532 . . . . 1.0 110.519 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 11.7 t90 -65.41 -40.37 93.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.423 0.63 . . . . 1.0 110.217 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -11.16 60.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.466 -179.149 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.3 t -88.26 -16.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.055 0.455 . . . . 1.0 110.109 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 84.27 10.59 79.92 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 992' ' ' PHE . 3.9 t80 -61.22 -42.75 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.984 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 67.2 m-85 -86.93 -2.15 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 994' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.6 tttt -114.73 130.92 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.9 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.919 ' NH1' HD11 ' B' ' 719' ' ' ILE . 94.6 mtm-85 -131.59 152.97 50.37 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.85 -0.796 . . . . 1.0 108.85 179.684 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -84.0 111.69 19.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.487 -0.885 . . . . 1.0 109.901 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.3 148.7 39.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.108 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 N--CA 1.494 1.536 0 C-N-CA 122.069 1.846 . . . . 1.0 112.027 179.92 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 109.419 -1.031 . . . . 1.0 109.419 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -113.81 125.91 54.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 9.2 t -177.89 72.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -61.64 145.47 97.57 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.751 2.3 . . . . 1.0 111.926 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -113.57 145.52 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.506 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 122.04 78.21 0.46 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -61.51 144.66 98.06 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.793 2.329 . . . . 1.0 112.411 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -40.55 97.7 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.808 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.772 HD11 ' CD1' ' A' ' 968' ' ' TRP . 21.1 tt -65.71 -39.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.019 0.437 . . . . 1.0 111.123 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.466 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.9 tp -62.61 -42.83 99.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.462 -178.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.37 -46.98 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.797 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 23.1 m -66.25 -39.95 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.047 -0.261 . . . . 1.0 110.95 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.56 -43.33 99.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.23 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.19 -41.03 97.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.599 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -44.01 97.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 112.054 -178.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.5 m -65.86 -41.05 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 119.666 -0.814 . . . . 1.0 110.487 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -63.41 -40.51 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 -179.409 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.82 -34.22 86.58 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 111.699 -0.56 . . . . 1.0 111.699 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.67 98.31 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.771 -0.772 . . . . 1.0 109.524 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.56 HG21 ' HA3' ' A' ' 976' ' ' GLY . 51.0 mm -63.99 -43.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.454 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.447 ' CD2' HD23 ' A' ' 979' ' ' LEU . 95.8 mt -60.47 -43.57 96.79 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.621 -0.832 . . . . 1.0 110.79 -178.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.84 -39.15 93.54 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.621 0.724 . . . . 1.0 110.158 179.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 86.8 mt -66.79 -43.54 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.877 0.846 . . . . 1.0 111.608 179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 708' ' ' GLY . . . . . 0.453 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -62.88 -44.36 97.55 Favored Glycine 0 N--CA 1.474 1.214 0 N-CA-C 109.806 -1.317 . . . . 1.0 109.806 -179.088 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.77 -42.86 97.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.481 . . . . 1.0 110.1 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.9 95.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.035 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.44 94.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.591 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.668 ' C ' HD23 ' B' ' 712' ' ' LEU . 7.7 tt -62.63 -43.34 99.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.466 -0.333 . . . . 1.0 110.316 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.86 -42.95 99.95 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.662 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.63 -43.85 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.597 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.1 -44.95 96.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.486 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.1 OUTLIER -60.55 -46.66 89.38 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.203 -1.036 . . . . 1.0 108.203 179.831 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.89 -40.71 97.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.397 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.08 -44.27 97.04 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.616 0.599 . . . . 1.0 112.616 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.919 HD11 ' NH1' ' A' ' 995' ' ' ARG . 13.8 tt -68.27 -42.56 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 118.78 -1.168 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 720' ' ' THR . . . . . 0.486 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 19.7 m -65.17 -48.7 72.56 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 -179.264 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.58 -45.14 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 722' ' ' HIS . . . . . 0.5 ' CE1' ' OD1' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.87 -41.4 82.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.899 179.65 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.55 ' OD2' ' NH1' ' A' ' 995' ' ' ARG . 51.3 m-20 -61.97 -41.42 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.383 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.8 -40.02 94.55 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.851 0.358 . . . . 1.0 110.685 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 18.4 tttp 49.23 31.0 3.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.01 30.25 7.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.686 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.982 -1.008 . . . . 1.0 110.528 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 970' ' ' LEU . 96.1 mt . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 111.319 0.118 . . . . 2.64 111.319 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -67.61 -48.86 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.383 -0.927 . . . . 1.87 110.345 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.629 ' CG ' HD11 ' B' ' 693' ' ' ILE . 81.2 m95 -61.82 -37.76 85.64 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.131 -0.94 . . . . 1.38 110.626 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.4 t -62.38 -43.77 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.085 -0.709 . . . . 1.41 109.085 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 966' ' ' ILE . 6.4 mp -61.98 -40.73 96.62 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.869 -0.789 . . . . 1.99 108.869 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.59 -46.48 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.494 -0.558 . . . . 1.38 109.494 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.5 97.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.347 -1.101 . . . . 0.67 110.347 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 969' ' ' VAL . 54.2 t -63.72 -44.74 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.907 -0.405 . . . . 0.88 109.907 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.12 -44.07 97.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.028 0.442 . . . . 1.95 110.218 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.51 96.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.828 -0.909 . . . . 0.84 110.828 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.57 96.72 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.503 -1.039 . . . . 0.76 110.503 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.24 -40.79 97.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.171 -0.677 . . . . 1.99 109.171 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 7.9 tp -62.46 -40.7 97.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.158 -0.928 . . . . 1.84 110.622 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.956 -0.565 . . . . 1.84 110.484 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.02 110.627 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.5 m -61.4 -42.3 98.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.59 110.723 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.14 -44.51 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.917 -0.313 . . . . 1.14 111.481 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.65 -42.62 98.08 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.251 -0.58 . . . . 1.77 110.602 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.58 110.275 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.57 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.839 -0.619 . . . . 1.72 110.795 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.89 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.516 -0.311 . . . . 0.68 111.616 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 41.4 mtt -66.5 -39.25 88.6 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.639 -0.425 . . . . 1.98 110.721 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.435 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.8 t90 -59.36 -38.49 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.611 -0.436 . . . . 1.3 109.923 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -13.59 62.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.123 -0.49 . . . . 1.29 110.61 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 990' ' ' VAL . 72.6 t -91.59 -12.84 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.921 -0.4 . . . . 1.18 109.921 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.35 86.3 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.822 -1.311 . . . . 0.85 109.822 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.44 -39.85 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.201 -0.499 . . . . 2.52 110.743 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -92.47 -3.59 54.93 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.183 -0.462 . . . . 2.58 109.958 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.68 128.06 49.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.894 -0.593 . . . . 3.57 110.108 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 . . . . . 0 C--N 1.342 0.278 0 N-CA-C 109.661 -0.496 . . . . 2.03 109.661 179.433 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 CA--C 1.507 -0.681 0 N-CA-C 106.443 -1.688 . . . . 3.0 106.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.629 HD11 ' CG ' ' A' ' 968' ' ' TRP . 3.6 tt -57.57 -39.85 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 114.063 -1.426 . . . . 1.54 107.575 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.91 -47.5 77.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.271 -0.64 . . . . 1.88 109.271 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.23 -48.65 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 115.811 -0.631 . . . . 1.12 110.689 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.7 -44.88 93.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.443 -0.799 . . . . 1.08 110.407 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' B' ' 693' ' ' ILE . 59.0 tp -61.57 -43.8 98.2 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.31 -0.996 . . . . 1.21 108.31 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 31.4 mt -62.92 -44.54 95.81 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.223 -0.658 . . . . 1.95 109.223 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.5 m -63.98 -44.0 94.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.9 109.971 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.28 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.41 -0.589 . . . . 1.68 109.41 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.16 -42.07 99.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.741 -0.663 . . . . 1.05 110.479 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.59 -42.35 95.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.543 -0.623 . . . . 0.62 111.543 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.36 99.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.63 110.647 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.15 -42.14 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.164 -0.471 . . . . 1.62 110.753 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.99 -41.88 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 1.92 109.313 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.386 -0.598 . . . . 2.02 109.386 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.23 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.134 -0.485 . . . . 1.19 110.177 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.9 -46.55 94.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.277 -1.129 . . . . 0.47 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.61 -43.0 95.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.835 0.35 . . . . 1.38 110.898 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.65 98.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.39 . . . . 0.6 111.501 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.31 95.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.059 0.457 . . . . 0.6 110.206 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.72 -40.8 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.77 -0.65 . . . . 2.28 109.552 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 33.1 tp -62.5 -41.75 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 1.82 110.23 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.72 -43.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 1.19 110.155 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.52 -41.96 86.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.71 95.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.331 -0.849 . . . . 1.28 109.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -40.66 94.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 1.93 110.129 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.41 -43.86 98.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.637 -0.425 . . . . 1.98 110.486 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -41.48 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.185 -0.672 . . . . 1.27 109.185 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.5 m -59.07 -44.6 91.88 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.519 -0.472 . . . . 1.1 109.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.87 -46.65 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.198 -0.601 . . . . 1.83 110.061 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -64.96 -42.38 94.64 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.68 -0.408 . . . . 2.15 110.261 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 18.0 t0 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.094 0.473 . . . . 1.86 110.086 179.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.3 mm . . . . . 0 N--CA 1.46 0.054 0 CA-C-O 120.692 0.282 . . . . 1.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.12 -36.81 68.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.42 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -59.37 -38.72 81.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.76 -44.35 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.715 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 970' ' ' LEU . 11.2 mp -62.21 -40.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.222 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.61 -45.29 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.55 -38.84 96.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.41 -44.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.61 0.243 . . . . 1.0 110.707 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.2 -42.95 99.76 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.673 -0.411 . . . . 1.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.65 -40.38 98.54 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.657 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.15 -37.85 95.14 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.834 -0.907 . . . . 1.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.68 -41.09 98.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 978' ' ' LEU . 89.8 mt -62.23 -39.87 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.589 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.859 HD13 HD21 ' B' ' 705' ' ' LEU . 87.8 mt -61.24 -44.29 97.5 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.819 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.8 tp -65.68 -42.9 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.046 0.451 . . . . 1.0 110.622 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 98.5 m -63.28 -46.73 85.47 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.736 -0.665 . . . . 1.0 112.708 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.0 tt -67.25 -41.21 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.142 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.6 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.1 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 980' ' ' LEU . 79.7 t -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.82 -43.01 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.314 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.7 98.24 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.593 -0.443 . . . . 1.0 111.109 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.2 mmm -65.89 -39.78 90.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.448 . . . . 1.0 110.688 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.496 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.2 t90 -64.5 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.379 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -12.49 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 110.593 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 78.2 t -87.19 -20.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.302 -0.559 . . . . 1.0 109.635 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.45 5.78 89.65 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.293 -1.123 . . . . 1.0 110.293 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 1.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 65.9 m-85 -89.24 -4.74 58.08 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.229 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -115.62 124.06 49.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.703 -0.481 . . . . 1.0 109.703 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.533 HH12 ' CG ' ' B' ' 723' ' ' ASP . 89.3 mtm180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.583 0.23 . . . . 1.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.429 HG23 ' N ' ' B' ' 694' ' ' LEU . 11.1 tp -65.43 -39.2 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.046 -0.353 . . . . 1.0 110.046 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.429 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.0 mt -62.69 -41.56 99.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.339 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.89 -44.72 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.94 -45.09 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.704 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -43.18 99.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.728 0.299 . . . . 1.0 110.532 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.67 -39.86 95.4 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.651 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.4 m -60.36 -42.34 95.57 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.444 0.64 . . . . 1.0 110.671 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.35 -45.81 92.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.19 -1.004 . . . . 1.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 97.2 mtp -63.46 -40.98 98.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.303 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.84 99.6 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.938 -0.649 . . . . 1.0 111.998 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.99 94.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 1.0 110.758 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.657 HG21 ' HA3' ' A' ' 976' ' ' GLY . 96.7 mt -64.69 -42.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.592 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 979' ' ' LEU . 35.7 mt -61.55 -41.84 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.19 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 1.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.05 -43.85 97.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.384 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.03 99.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.268 -1.133 . . . . 1.0 110.268 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.05 -42.18 99.66 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.5 84.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.798 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.51 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.529 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.69 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.683 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.44 -40.37 96.97 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.315 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.7 -42.87 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 1.0 110.384 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.445 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.7 t90 -59.98 -37.93 81.07 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.432 0.634 . . . . 1.0 110.0 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -45.03 88.14 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.72 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.97 -40.11 95.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.33 -44.45 96.46 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.351 0.501 . . . . 1.0 112.351 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.41 -37.62 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.022 0.439 . . . . 1.0 110.726 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.6 m -61.43 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.11 -44.64 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.951 -0.699 . . . . 1.0 110.842 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -61.73 -42.1 98.52 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.694 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.533 ' CG ' HH12 ' A' ' 995' ' ' ARG . 40.9 m-20 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.142 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.776 0.322 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . 0.535 ' O ' HG23 ' A' ' 971' ' ' VAL . 99.0 m95 -57.27 -38.97 74.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.591 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.73 -41.66 97.93 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.111 -0.636 . . . . 1.0 110.722 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 973' ' ' VAL . 55.3 t -64.21 -44.34 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.058 0.456 . . . . 1.0 110.109 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.4 -42.04 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 967' ' ' TRP . 66.3 t -61.91 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.421 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.66 98.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 969' ' ' VAL . 55.5 t -63.32 -44.74 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 1.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.27 -43.24 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.293 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -64.12 -34.9 91.16 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.47 -1.052 . . . . 1.0 110.47 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.03 88.74 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.97 -42.03 98.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 978' ' ' LEU . 4.1 mm? -62.49 -40.17 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.266 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.526 HD21 HD13 ' B' ' 705' ' ' LEU . 40.9 tp -60.95 -44.52 97.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.031 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.0 tp -63.81 -42.15 97.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.0 110.127 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.3 m -62.86 -45.07 94.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.825 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.35 -43.54 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.11 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.38 -0.528 . . . . 1.0 109.963 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 980' ' ' LEU . 74.7 t -64.47 -44.04 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.886 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.01 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.358 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.94 97.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.768 ' O ' HG22 ' A' ' 990' ' ' VAL . 94.8 mtp -65.62 -40.45 92.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 1.0 110.7 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.2 t90 -63.35 -38.66 92.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.47 . . . . 1.0 111.124 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -13.09 61.18 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 987' ' ' MET . 31.0 m -93.68 -3.11 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 119.723 -0.791 . . . . 1.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.2 80.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.363 -0.695 . . . . 1.0 111.363 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 3.3 t80 -61.43 -43.1 99.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.718 0.294 . . . . 1.0 111.64 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -88.0 -2.6 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.332 -0.547 . . . . 1.0 111.286 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -90.37 123.85 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.2 -0.666 . . . . 1.0 109.2 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.541 ' NH2' HG23 ' B' ' 719' ' ' ILE . 62.9 ttm-85 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.766 0.317 . . . . 1.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 693' ' ' ILE . 11.0 tp -64.7 -25.95 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.618 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.13 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.75 -44.42 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.461 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.76 -44.86 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.736 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.06 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.485 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.26 -41.72 99.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 1.0 110.429 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.3 m -60.27 -42.01 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.589 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.13 -46.25 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.77 -40.82 97.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.56 -41.05 99.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.628 -0.589 . . . . 1.0 111.628 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.024 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 979' ' ' LEU . 51.0 tp -60.88 -42.43 97.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.59 -43.65 98.28 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.401 -0.52 . . . . 1.0 109.978 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.17 -43.57 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.282 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.52 -45.23 96.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.5 -1.04 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 1.0 110.506 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.86 97.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.489 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.25 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.104 -0.639 . . . . 1.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.625 HD22 ' SD ' ' A' ' 987' ' ' MET . 95.7 mt -63.32 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.423 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.31 -42.79 99.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.669 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.32 -43.96 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.15 -42.13 94.23 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -42.04 97.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.56 -42.71 99.72 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.805 0.812 . . . . 1.0 110.626 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.541 HG23 ' NH2' ' A' ' 995' ' ' ARG . 71.5 mt -67.76 -42.5 86.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.937 178.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -62.26 -44.17 97.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.345 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.46 -42.02 86.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.684 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -67.7 -38.35 83.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.05 -0.66 . . . . 1.0 110.975 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 N--CA 1.465 0.323 0 C-N-CA 120.047 -0.661 . . . . 1.0 109.598 -179.541 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 112.486 0.55 . . . . 1.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -56.65 -38.92 72.85 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.646 -0.422 . . . . 1.0 111.776 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.472 ' CD1' HD12 ' B' ' 693' ' ' ILE . 96.4 m95 -60.79 -39.05 87.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 973' ' ' VAL . 53.1 t -63.07 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 1.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.72 -40.68 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -45.67 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.415 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.56 96.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.491 -1.043 . . . . 1.0 110.491 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.5 t -63.36 -44.11 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 1.0 110.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.82 -43.14 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.38 -32.78 85.31 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.522 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -61.61 -34.89 90.11 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.324 -0.71 . . . . 1.0 111.324 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.96 -40.62 96.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.112 0.482 . . . . 1.0 109.775 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.8 -40.97 97.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.618 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.39 -43.98 97.95 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.14 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 984' ' ' VAL . 52.4 tp -64.3 -42.43 96.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.138 0.494 . . . . 1.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.32 -44.95 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.503 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.1 -44.0 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.865 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.22 99.42 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.229 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 980' ' ' LEU . 68.4 t -64.31 -44.03 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.82 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.87 -42.63 99.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.16 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.429 -0.509 . . . . 1.0 111.332 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.18 -41.05 90.82 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -63.07 -38.55 91.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.43 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -11.53 46.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.92 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.93 -18.31 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.413 -0.515 . . . . 1.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.98 5.93 89.34 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.62 -42.35 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.637 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.456 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.3 m-85 -88.89 -4.17 58.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.9 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.74 124.88 35.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' B' ' 723' ' ' ASP . 42.5 ttm180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . 0.489 ' O ' HG23 ' B' ' 696' ' ' VAL . 99.2 m-20 . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.754 0.312 . . . . 1.0 110.793 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 968' ' ' TRP . 31.3 mm -63.91 -43.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.747 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.51 ' N ' HD12 ' B' ' 694' ' ' LEU . 11.0 mp -62.48 -42.31 99.4 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.523 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.1 -44.49 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.13 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 692' ' ' ASP . 69.8 t -62.72 -44.82 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -42.95 99.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.171 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.57 -43.29 99.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -61.03 -41.7 97.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.164 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.49 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.93 -40.96 99.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.835 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.67 96.55 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.296 0.57 . . . . 1.0 110.656 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.522 HD13 ' HA3' ' A' ' 976' ' ' GLY . 78.4 mt -65.59 -43.49 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.912 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.169 -0.612 . . . . 1.0 109.971 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.23 -43.02 92.78 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.968 -0.693 . . . . 1.0 110.94 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.57 -43.27 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.009 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.79 -41.44 98.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.339 -1.104 . . . . 1.0 110.339 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.89 -41.59 97.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 1.0 110.168 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.7 92.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.469 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.96 96.24 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.405 -0.518 . . . . 1.0 109.985 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.15 -41.52 99.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.056 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.585 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.13 -43.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 1.0 110.208 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.456 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.49 -43.8 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.81 99.52 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.718 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.19 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.436 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.0 -43.66 98.18 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.58 -38.48 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 84.8 m -62.17 -44.41 96.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.979 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.84 -43.95 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.041 -0.264 . . . . 1.0 111.089 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -64.98 -40.7 95.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.624 -0.431 . . . . 1.0 110.368 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' A' ' 995' ' ' ARG . 54.0 m-20 . . . . . 0 C--N 1.331 -0.224 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 111.534 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . 0.413 ' O ' HG23 ' A' ' 971' ' ' VAL . 98.9 m95 -56.45 -37.98 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.581 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.58 -41.58 90.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 973' ' ' VAL . 53.7 t -64.71 -43.67 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.218 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.88 -41.89 98.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.421 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 967' ' ' TRP . 67.6 t -61.48 -45.38 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.7 95.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.3 t -63.13 -44.39 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.695 0.283 . . . . 1.0 110.569 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.1 -42.07 98.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.927 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.14 -28.04 70.0 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.544 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -61.17 -34.42 87.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 977' ' ' LEU . 11.1 mp -62.51 -40.85 98.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.24 -41.73 98.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.347 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 979' ' ' LEU . 7.2 tt -61.5 -44.29 97.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.941 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.8 tp -62.86 -41.26 99.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 1.0 110.188 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.46 -43.86 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 112.068 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.61 -44.67 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.407 -0.517 . . . . 1.0 111.648 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.67 -40.89 97.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.817 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 980' ' ' LEU . 69.5 t -61.91 -44.65 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.846 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.53 -41.91 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.032 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.3 -41.3 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.62 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.47 -37.57 85.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.548 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.619 ' NE1' ' NZ ' ' A' ' 994' ' ' LYS . 11.7 t90 -57.76 -39.27 77.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.007 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -12.17 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 986' ' ' ALA . 97.8 t -90.55 -3.56 10.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.629 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.38 66.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.744 -0.542 . . . . 1.0 111.744 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 992' ' ' PHE . 4.0 t80 -61.02 -42.61 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 1.0 110.901 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -92.4 0.93 57.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.632 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . 0.619 ' NZ ' ' NE1' ' A' ' 988' ' ' TRP . 64.8 mttp -102.77 124.59 48.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.172 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.618 HH21 ' CG2' ' B' ' 719' ' ' ILE . 56.3 ttm-85 . . . . . 0 N--CA 1.45 -0.475 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . 0.501 ' O ' HG23 ' B' ' 696' ' ' VAL . 54.9 m-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.899 0.381 . . . . 1.0 110.6 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 31.5 mm -63.66 -44.0 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.657 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.461 HD12 ' N ' ' B' ' 694' ' ' LEU . 11.2 mp -64.01 -39.86 95.04 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.726 0.774 . . . . 1.0 109.856 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.26 -44.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.461 0.648 . . . . 1.0 109.799 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 692' ' ' ASP . 72.5 t -62.81 -43.89 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.228 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.25 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.752 0.31 . . . . 1.0 110.442 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.18 -42.05 99.31 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.9 m -61.46 -42.53 98.92 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.735 0.779 . . . . 1.0 109.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 696' ' ' VAL . 74.2 t -62.94 -43.74 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.958 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.29 -40.61 97.83 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.902 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.45 Favored Glycine 0 CA--C 1.537 1.423 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.17 96.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.371 0.605 . . . . 1.0 109.826 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.544 HD13 ' HA3' ' A' ' 976' ' ' GLY . 92.9 mt -63.29 -43.38 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.486 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.289 -0.564 . . . . 1.0 110.735 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.47 -42.81 98.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 1.0 110.635 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.47 -43.93 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.331 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.97 98.4 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.53 -42.43 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.794 0.331 . . . . 1.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.362 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.0 97.14 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.548 -0.461 . . . . 1.0 110.599 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.66 -41.96 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.645 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.95 -41.9 99.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.519 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.17 -44.08 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.631 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -63.27 -41.79 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 1.0 108.965 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -41.32 94.74 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.275 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.8 -40.99 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.761 -0.375 . . . . 1.0 110.499 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.69 -42.29 99.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.031 0.443 . . . . 1.0 110.696 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.618 ' CG2' HH21 ' A' ' 995' ' ' ARG . 91.7 mt -65.0 -40.45 89.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.944 0.878 . . . . 1.0 109.33 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 85.9 m -61.02 -43.3 99.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 119.625 -0.83 . . . . 1.0 110.032 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.14 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -68.47 -39.27 81.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.657 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 68.5 t0 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.99 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 112.201 0.445 . . . . 1.0 112.201 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.213 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.502 ' CD1' HD11 ' B' ' 693' ' ' ILE . 98.9 m95 -60.71 -39.12 87.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 973' ' ' VAL . 73.2 t -63.6 -44.02 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.36 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.27 -41.41 98.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.18 -44.8 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.62 93.64 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.631 -0.987 . . . . 1.0 110.631 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 969' ' ' VAL . 60.0 t -62.87 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 1.0 110.165 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.69 -41.31 99.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 1.0 109.831 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.48 90.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.96 -40.92 99.11 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.82 -41.87 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.426 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.5 tp -64.89 -41.71 95.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 1.0 109.566 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.1 m -63.07 -44.7 95.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.909 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.55 -44.37 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.033 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.06 -40.38 97.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.468 0.652 . . . . 1.0 110.43 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 980' ' ' LEU . 57.8 t -68.09 -43.32 85.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 122.114 0.959 . . . . 1.0 110.976 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.42 -42.66 92.34 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.998 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.92 -42.95 94.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.926 -1.509 . . . . 1.0 111.504 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.27 -38.64 85.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.821 0.82 . . . . 1.0 110.797 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.492 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -62.41 -37.19 84.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.372 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -12.21 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.47 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.44 -19.22 7.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.149 0.5 . . . . 1.0 109.754 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.18 6.18 89.02 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.424 -1.071 . . . . 1.0 110.424 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.72 -42.52 99.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 57.4 m-85 -89.89 -3.04 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.408 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -97.41 123.65 41.32 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.08 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.541 HH22 ' CG ' ' B' ' 723' ' ' ASP . 95.4 mtt180 . . . . . 0 C--N 1.329 -0.312 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.456 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 968' ' ' TRP . 20.5 tt -65.72 -26.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.479 ' O ' HD13 ' B' ' 698' ' ' LEU . 54.9 tp -62.02 -43.47 98.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.044 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.68 -43.6 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 1.0 109.658 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.33 -43.53 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.809 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.28 97.61 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.803 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . 0.479 HD13 ' O ' ' B' ' 694' ' ' LEU . 8.4 mp -64.1 -41.91 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.312 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.3 m -60.81 -45.27 95.1 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.37 -37.45 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.77 -41.03 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.66 97.78 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.568 -1.013 . . . . 1.0 110.568 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.828 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.16 -43.67 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.136 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.91 -41.8 99.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.028 0.442 . . . . 1.0 109.847 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.997 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.06 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.945 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.61 -40.31 98.98 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.165 -1.174 . . . . 1.0 110.165 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.17 -42.09 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 1.0 110.481 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.75 90.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.475 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.1 96.29 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 119.956 -0.698 . . . . 1.0 110.197 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.157 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.69 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.55 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.43 -43.96 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-O 121.304 0.573 . . . . 1.0 110.07 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.8 t90 -60.8 -42.44 97.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.91 91.53 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.907 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.13 -40.68 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.542 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.94 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.317 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.7 m -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.43 -43.35 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.029 0.442 . . . . 1.0 110.507 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -64.44 -38.36 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.541 ' CG ' HH22 ' A' ' 995' ' ' ARG . 47.0 m-20 . . . . . 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.778 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.233 0.205 0 N-CA-C 111.951 0.352 . . . . 1.0 111.951 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . 0.453 ' O ' HG23 ' A' ' 971' ' ' VAL . 95.3 m95 -57.33 -39.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.564 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -61.45 -40.74 95.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.905 -0.718 . . . . 1.0 110.425 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.523 HG13 HG21 ' B' ' 700' ' ' VAL . 53.2 t -64.43 -43.8 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.49 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.46 -41.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.55 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 967' ' ' TRP . 64.9 t -61.59 -45.55 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.678 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.28 98.9 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.87 -44.79 99.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 1.0 110.457 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 1.0 109.968 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.89 -23.44 63.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.93 91.37 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.5 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.86 -40.83 98.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.69 -42.69 99.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.896 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.5 tp -63.91 -42.05 97.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.482 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 16.0 m -62.85 -41.73 99.47 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.397 -0.819 . . . . 1.0 111.67 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.0 -44.78 99.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 119.56 -0.856 . . . . 1.0 110.898 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -41.72 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.48 . . . . 1.0 110.223 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 980' ' ' LEU . 77.7 t -62.2 -43.35 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.494 -0.775 . . . . 1.0 111.019 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.629 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.26 96.23 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.434 -0.507 . . . . 1.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 74.9 mtm -65.69 -40.4 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 111.284 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.0 t90 -60.1 -37.89 81.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.349 0.595 . . . . 1.0 110.028 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -36.02 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 1.0 111.567 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 992' ' ' PHE . 10.2 m -89.59 -15.04 8.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.823 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 75.98 7.73 84.31 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . 0.515 ' H ' HG23 ' A' ' 990' ' ' VAL . 3.7 t80 -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.981 -0.288 . . . . 1.0 110.845 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 32.8 m-85 -97.41 -4.17 38.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.764 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.1 mttt -134.19 144.89 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 1.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 95.9 mtt180 . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.495 0.188 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.447 HG23 ' N ' ' B' ' 694' ' ' LEU . 19.6 tt -66.05 -39.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.031 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.447 ' N ' HG23 ' B' ' 693' ' ' ILE . 88.1 mt -62.22 -41.82 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.139 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.87 -45.09 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.505 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.89 -42.39 99.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.182 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.23 -43.09 99.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.2 m -60.85 -41.79 96.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.193 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . 0.523 HG21 HG13 ' A' ' 969' ' ' VAL . 49.9 t -62.73 -44.77 99.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.35 -41.41 98.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.949 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.69 96.66 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.737 -0.744 . . . . 1.0 111.323 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.39 93.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 1.0 111.276 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.62 -44.09 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.519 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.13 -41.68 99.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.224 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.412 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.52 -43.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.948 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.18 99.15 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.83 -41.55 99.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.856 0.36 . . . . 1.0 110.766 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.98 84.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.835 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.62 97.9 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.66 -39.99 95.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.49 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.3 -42.7 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.287 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.43 -43.62 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.61 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.369 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -41.43 97.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.134 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -42.95 98.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.99 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.09 -44.02 96.88 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.1 tt -68.49 -38.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.417 -0.513 . . . . 1.0 110.67 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.0 m -61.58 -44.13 97.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.944 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.04 -43.57 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.799 -0.361 . . . . 1.0 111.173 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.24 -39.4 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.677 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 70.1 m-20 . . . . . 0 N--CA 1.466 0.331 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.779 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.623 0.249 . . . . 1.0 111.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.95 -41.86 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.842 -0.343 . . . . 1.0 111.039 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.64 -40.83 98.25 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.631 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.21 -44.12 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.816 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.97 -41.2 97.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.523 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.9 -44.91 99.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -41.32 99.72 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.181 -0.768 . . . . 1.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.81 -44.14 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.953 -0.299 . . . . 1.0 110.44 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.93 -42.68 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.468 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.97 -40.7 99.63 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.598 ' C ' HG21 ' B' ' 704' ' ' ILE . . . -63.97 -39.89 97.73 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.16 -40.44 97.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 1.0 110.217 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -41.73 97.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.294 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.704 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.9 tt -61.47 -44.61 96.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.354 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 984' ' ' VAL . 53.9 tp -63.44 -42.8 98.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.531 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.77 -45.25 93.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.624 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 1.0 111.197 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.95 -43.4 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 1.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 980' ' ' LEU . 71.5 t -64.45 -44.23 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.272 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -61.7 -44.69 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.719 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.3 mtt -64.87 -41.05 95.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 1.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.449 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.7 t90 -62.37 -40.6 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.267 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -11.74 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.037 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.7 t -89.09 -16.71 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 1.0 110.163 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.55 11.58 81.65 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.069 -1.212 . . . . 1.0 110.069 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.54 -42.49 98.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.287 -0.456 . . . . 1.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 59.9 m-85 -98.64 -0.93 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.039 0.385 . . . . 1.0 112.039 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -112.13 129.82 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 1.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.587 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.6 mtt180 . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 108.813 -0.81 . . . . 1.0 108.813 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . 0.4 ' O ' HG22 ' B' ' 695' ' ' VAL . 98.6 m-20 . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 120.871 0.367 . . . . 1.0 110.796 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.6 -26.02 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.383 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.895 0.331 . . . . 1.0 111.895 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' B' ' 696' ' ' VAL . 1.9 m -64.2 -40.85 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.201 -0.6 . . . . 1.0 110.161 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.435 ' N ' ' CG2' ' B' ' 695' ' ' VAL . 68.3 t -62.97 -44.49 99.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.02 -42.99 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.057 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.0 -42.09 99.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.905 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -60.2 -41.37 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.46 -46.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.564 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.542 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.47 -39.5 96.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.498 -0.641 . . . . 1.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.02 99.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.986 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.598 HG21 ' C ' ' A' ' 976' ' ' GLY . 33.1 mm -64.12 -43.27 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 1.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.68 -42.09 98.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.346 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.28 -41.86 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.69 -43.43 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.0 109.837 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.24 99.32 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.353 -1.099 . . . . 1.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.92 -42.47 99.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 1.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.98 93.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.083 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.85 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.309 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.3 -42.85 99.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.52 -43.72 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 1.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.89 -43.07 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.53 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.81 97.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.905 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.98 -42.71 99.91 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.294 -0.563 . . . . 1.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.7 -45.16 94.04 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.83 -38.36 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.781 -0.768 . . . . 1.0 110.279 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.0 m -58.41 -41.93 86.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.904 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.99 -41.86 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.732 0.777 . . . . 1.0 110.029 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -70.73 -34.81 72.27 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.587 ' CG ' HH12 ' A' ' 995' ' ' ARG . 67.5 t0 . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.751 -1.113 . . . . 1.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.089 0.471 . . . . 1.0 110.661 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.15 -36.73 71.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.492 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.726 ' CD1' HD11 ' B' ' 693' ' ' ILE . 97.0 m95 -57.9 -40.75 81.08 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.746 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 973' ' ' VAL . 55.4 t -66.08 -42.95 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.953 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.82 -42.74 99.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 1.0 112.331 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.5 -41.49 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.928 -0.709 . . . . 1.0 110.238 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.22 95.66 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.136 -1.186 . . . . 1.0 110.136 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 969' ' ' VAL . 67.6 t -63.44 -44.45 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 1.0 110.5 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.58 -41.54 99.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.35 -38.35 95.56 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.95 95.71 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.214 -1.154 . . . . 1.0 110.214 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.87 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 1.0 110.345 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -40.36 96.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.621 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.727 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.5 tt -60.74 -45.38 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.465 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.2 tp -63.95 -42.31 97.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 1.0 110.104 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 81.6 m -62.46 -44.48 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.443 -0.798 . . . . 1.0 112.227 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.94 -44.12 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.714 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.3 -42.03 99.01 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.149 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 980' ' ' LEU . 74.8 t -64.3 -44.36 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.189 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.403 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -65.25 -42.4 93.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.146 -0.622 . . . . 1.0 110.472 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.04 -40.83 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.779 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.6 t90 -61.77 -41.19 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.414 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -13.87 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.053 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.3 t -90.61 -17.49 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.363 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 8.31 77.69 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.76 -42.46 99.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 1.0 110.54 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.434 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 41.8 m-85 -88.09 -2.55 58.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.401 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.42 129.1 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' B' ' 723' ' ' ASP . 59.5 ttt85 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . 0.43 ' O ' HG23 ' B' ' 696' ' ' VAL . 94.4 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.59 0.233 . . . . 1.0 111.168 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.726 HD11 ' CD1' ' A' ' 968' ' ' TRP . 20.7 tt -65.97 -40.9 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.886 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.48 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.0 mt -62.53 -42.19 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.176 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.79 -44.36 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 692' ' ' ASP . 69.8 t -62.85 -44.44 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.95 -43.24 99.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.858 0.361 . . . . 1.0 110.472 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.88 -41.5 97.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.066 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.8 m -60.33 -44.53 95.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.249 0.463 . . . . 1.0 112.249 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -65.36 -41.55 91.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.727 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.74 -40.85 97.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.53 99.28 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.54 -0.624 . . . . 1.0 111.54 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.62 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.955 0.407 . . . . 1.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.98 -43.34 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.16 -41.84 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.62 -43.71 98.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.93 -43.96 98.71 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.383 -1.087 . . . . 1.0 110.383 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.91 -41.89 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.093 0.473 . . . . 1.0 110.849 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.7 94.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.908 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.44 97.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 1.0 110.453 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.08 -41.62 97.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.505 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.83 -45.32 94.33 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 121.956 0.884 . . . . 1.0 109.792 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.176 -1.41 . . . . 1.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.434 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.54 -42.64 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.28 92.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.146 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.87 -39.87 95.75 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.567 -0.453 . . . . 1.0 111.031 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.88 -42.47 99.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.977 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.68 -43.64 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 121.295 0.569 . . . . 1.0 110.388 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 11.9 m -61.74 -42.61 99.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.686 1.231 . . . . 1.0 110.782 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.2 -44.02 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 118.511 -1.276 . . . . 1.0 111.253 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -65.55 -40.86 93.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.98 -0.688 . . . . 1.0 109.815 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 42.4 m-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.114 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 119.773 -0.156 . . . . 1.0 111.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . 0.568 ' O ' HG23 ' A' ' 971' ' ' VAL . 94.0 m95 -60.88 -38.56 86.06 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 122.056 0.931 . . . . 1.0 111.217 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.08 -46.29 81.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 120.0 -0.68 . . . . 1.0 112.565 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.36 -37.71 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 119.675 -0.81 . . . . 1.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.863 0.363 . . . . 1.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 967' ' ' TRP . 67.9 t -62.14 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.691 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.26 97.31 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.3 -44.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.0 110.354 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.47 -42.15 99.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.143 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.84 98.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.11 -40.37 99.11 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.413 -1.075 . . . . 1.0 110.413 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 1.0 110.033 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.08 -42.03 98.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 979' ' ' LEU . 2.7 tm? -61.27 -44.13 97.73 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.3 tp -63.13 -41.85 99.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.135 0.493 . . . . 1.0 110.262 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.3 m -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.961 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -44.62 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.404 -0.518 . . . . 1.0 111.732 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.53 -34.71 78.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.344 1.545 . . . . 1.0 110.577 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 980' ' ' LEU . 55.2 t -66.9 -44.43 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 119.026 -1.069 . . . . 1.0 110.777 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.77 -40.07 96.12 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 122.603 1.192 . . . . 1.0 109.569 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -64.0 -39.58 94.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 119.052 -1.059 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.561 ' CE ' HD13 ' B' ' 712' ' ' LEU . 57.8 mtt -64.0 -40.84 97.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.492 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.9 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -11.72 60.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.138 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 986' ' ' ALA . 36.8 t -90.31 -15.77 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.095 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 85.05 12.5 73.83 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . 0.41 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 4.5 t80 -61.3 -42.26 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.969 -0.292 . . . . 1.0 110.625 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.443 ' CD1' ' CZ2' ' B' ' 715' ' ' TRP . 14.8 m-85 -87.97 -1.54 58.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.268 -0.573 . . . . 1.0 110.456 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -114.03 130.83 56.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.635 ' NH1' HG23 ' B' ' 719' ' ' ILE . 85.3 mtp180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.66 0.267 . . . . 1.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.441 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.4 tt -66.24 -39.52 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.441 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.3 mt -62.07 -41.87 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.145 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.88 -44.62 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.33 -43.73 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.43 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.53 -43.83 98.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.449 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.1 -41.2 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.139 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 64.3 m -60.24 -44.53 95.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 1.0 112.061 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 17.2 m -65.71 -40.96 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.631 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.51 -40.78 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 1.0 110.402 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.93 -40.74 98.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.56 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.508 HG21 ' HA3' ' A' ' 976' ' ' GLY . 94.1 mt -63.74 -43.4 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.406 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.01 -42.9 99.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.04 -42.05 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.231 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.51 -43.73 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.977 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.23 99.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.494 -1.042 . . . . 1.0 110.494 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.19 -42.55 99.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.379 . . . . 1.0 110.223 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.87 81.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.572 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.27 85.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.561 HD13 ' CE ' ' A' ' 987' ' ' MET . 50.9 tp -62.2 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.25 -41.66 99.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.085 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.15 -43.78 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.819 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 993' ' ' PHE . 2.0 t90 -59.51 -43.92 93.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.196 0.522 . . . . 1.0 109.665 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.33 98.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 1.0 110.139 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.79 -39.76 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.143 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.67 -42.62 99.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.122 -0.631 . . . . 1.0 111.298 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.635 HG23 ' NH1' ' A' ' 995' ' ' ARG . 90.7 mt -63.97 -43.85 97.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 120.391 -0.524 . . . . 1.0 109.895 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -61.63 -44.97 95.99 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 120.886 0.374 . . . . 1.0 111.248 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.62 -45.04 99.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.234 -0.986 . . . . 1.0 110.747 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -66.26 -39.65 89.6 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.857 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.549 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.4 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 1.0 110.792 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.9 pt . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 111.609 0.226 . . . . 1.0 111.609 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . 0.637 ' O ' HG23 ' A' ' 971' ' ' VAL . 77.9 m95 -61.92 -38.39 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.158 -0.617 . . . . 1.0 111.536 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.475 ' O ' HD13 ' B' ' 697' ' ' LEU . 98.0 m95 -60.66 -47.61 85.5 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.216 0.45 . . . . 1.0 112.216 -178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.29 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.275 -0.57 . . . . 1.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.93 -42.32 99.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.296 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 967' ' ' TRP . 71.8 t -62.89 -44.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.986 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.04 97.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.681 -0.568 . . . . 1.0 111.681 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.24 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.569 -0.452 . . . . 1.0 110.726 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.61 -40.72 97.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.627 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.29 98.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.585 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.63 -39.6 97.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.334 -1.107 . . . . 1.0 110.334 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.25 -40.94 98.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.049 0.452 . . . . 1.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.12 -41.28 98.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.811 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.3 tp -64.14 -42.47 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.676 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.0 m -62.7 -47.48 83.42 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.1 tt -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.147 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.02 -41.54 99.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 1.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 980' ' ' LEU . 64.5 t -62.08 -44.73 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.016 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.51 -42.03 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.96 -40.93 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.639 -0.425 . . . . 1.0 110.661 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.713 ' SD ' HD22 ' B' ' 712' ' ' LEU . 66.5 mtt -66.42 -38.16 86.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.908 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.448 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.8 t90 -58.21 -40.39 81.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 1.0 110.337 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -12.16 61.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 986' ' ' ALA . 58.8 t -91.26 -0.61 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.004 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 89.99 14.34 59.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . 0.447 ' CD2' ' CE2' ' A' ' 993' ' ' PHE . 3.3 t80 -60.76 -43.01 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.639 0.257 . . . . 1.0 111.005 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.447 ' CE2' ' CD2' ' A' ' 992' ' ' PHE . 55.2 m-85 -97.5 -4.09 38.63 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.453 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.0 mttt -131.53 139.56 49.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.474 . . . . 1.0 111.226 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.545 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 78.6 mtp85 . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.45 -0.468 0 CA-C-O 120.831 0.348 . . . . 1.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 45.7 pt -67.05 -22.65 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.25 -43.48 97.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.816 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.11 -44.21 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.13 -45.14 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.851 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 968' ' ' TRP . 50.7 tp -61.97 -43.93 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.891 -0.324 . . . . 1.0 110.502 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.53 -43.35 97.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.8 m -60.84 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.87 -46.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.911 -0.316 . . . . 1.0 110.888 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 96.9 mtp -63.26 -43.09 98.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.428 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.71 -42.45 93.21 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.832 -0.699 . . . . 1.0 111.669 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.42 92.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.68 -0.408 . . . . 1.0 111.26 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.585 HG21 ' HA3' ' A' ' 976' ' ' GLY . 97.0 mt -64.52 -43.7 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.827 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.934 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.12 -43.58 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.86 -0.336 . . . . 1.0 110.898 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.388 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -64.1 -46.87 90.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.74 -43.04 97.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 111.229 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.5 97.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.789 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.8 -42.39 95.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.48 -0.488 . . . . 1.0 110.871 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.713 HD22 ' SD ' ' A' ' 987' ' ' MET . 88.3 mt -63.82 -42.17 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.045 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.0 -42.73 99.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.571 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.48 -43.99 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.328 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -63.66 -46.02 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.395 0.617 . . . . 1.0 109.91 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.02 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 1.0 109.768 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.019 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.38 -42.79 99.69 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.042 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.36 -44.14 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.06 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.9 m -58.78 -43.33 90.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.184 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.74 -44.43 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.978 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -65.69 -39.72 91.58 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.755 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.545 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 91.8 m-20 . . . . . 0 C--N 1.327 -0.393 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -59.83 -39.2 84.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.16 -40.44 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.547 HG13 HG21 ' B' ' 700' ' ' VAL . 51.8 t -64.03 -44.24 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.48 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.11 -41.49 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.301 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.46 -45.1 99.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.479 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.24 99.78 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.189 -0.764 . . . . 1.0 111.189 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.517 HG23 HG11 ' B' ' 700' ' ' VAL . 49.4 t -63.55 -44.49 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.0 110.551 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.4 -41.21 98.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 1.0 110.674 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.67 93.57 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.479 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.06 -42.88 99.75 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.35 -40.32 96.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.987 0.422 . . . . 1.0 109.981 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.8 -41.83 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.25 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.6 tt -61.36 -45.06 95.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 1.0 110.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.8 tp -64.49 -41.68 96.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.616 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 87.5 m -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.68 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 44.0 pt -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.202 -0.599 . . . . 1.0 111.544 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.79 -41.5 99.29 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.01 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 980' ' ' LEU . 70.3 t -62.64 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.51 -41.96 99.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.182 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.2 -41.11 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.346 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.6 t90 -61.36 -40.7 95.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.248 0.546 . . . . 1.0 109.818 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -11.69 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.208 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.5 t -89.49 -16.02 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.89 0.376 . . . . 1.0 110.213 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.64 10.6 72.82 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.23 -42.73 99.11 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.549 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.469 ' CE1' ' CE2' ' B' ' 715' ' ' TRP . 67.5 m-85 -87.45 -2.69 58.79 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.747 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.64 141.43 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.291 -0.563 . . . . 1.0 109.869 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.531 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 18.3 mmm180 . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.635 0.255 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.432 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.3 tt -65.27 -39.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.432 ' N ' HG23 ' B' ' 693' ' ' ILE . 91.4 mt -63.19 -41.09 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 1.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.72 -42.64 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.35 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.0 -44.53 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.75 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.65 -43.65 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.561 -0.456 . . . . 1.0 109.977 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.46 -41.46 98.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.881 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.9 m -60.42 -42.55 96.25 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.019 -0.273 . . . . 1.0 111.176 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . 0.547 HG21 HG13 ' A' ' 969' ' ' VAL . 89.3 t -63.56 -45.33 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.933 0.397 . . . . 1.0 110.074 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -62.35 -40.12 95.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.803 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -39.89 98.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 1.0 111.439 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.3 96.65 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.091 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.479 HG21 ' HA3' ' A' ' 976' ' ' GLY . 47.8 mm -65.96 -43.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 1.0 111.063 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.404 ' CD2' HD13 ' A' ' 979' ' ' LEU . 88.0 mt -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.773 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.54 -42.62 99.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.096 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -43.59 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.12 92.8 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.741 -0.742 . . . . 1.0 111.335 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.31 -39.24 93.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.362 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.04 99.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.865 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.67 94.64 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.734 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.65 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.469 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.15 -44.02 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.266 0.555 . . . . 1.0 109.529 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -44.75 92.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.78 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 97.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.738 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.63 -45.31 93.43 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.84 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.5 tt -68.67 -37.43 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.754 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.4 m -60.66 -42.1 96.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.164 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.68 -43.37 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.131 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -64.89 -37.69 88.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.686 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.531 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 68.1 m-20 . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 120.258 -0.577 . . . . 1.0 109.665 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.725 0.298 . . . . 1.0 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -58.96 -39.35 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.45 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.684 ' HB3' HD21 ' B' ' 697' ' ' LEU . 98.8 m95 -61.14 -39.16 89.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.481 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 973' ' ' VAL . 57.4 t -63.76 -43.94 98.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.381 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.75 -41.92 98.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.84 -44.99 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.431 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.05 94.15 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 969' ' ' VAL . 73.7 t -62.92 -44.7 99.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 1.0 110.453 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.64 -41.88 99.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.38 -39.61 97.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.746 -0.942 . . . . 1.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.528 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.2 -39.08 96.77 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.93 -40.51 97.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.981 0.419 . . . . 1.0 109.971 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.16 -41.51 98.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.707 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.5 tt -61.25 -44.39 97.33 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.341 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.53 -41.93 98.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.162 0.506 . . . . 1.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 76.0 m -61.94 -43.84 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.702 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.65 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.663 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.62 -41.35 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.534 -0.466 . . . . 1.0 111.157 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.85 -47.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.707 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.71 -41.44 98.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -61.08 -44.71 96.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.371 -0.532 . . . . 1.0 110.65 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.79 -40.34 91.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 1.0 110.122 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.44 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.0 t90 -62.81 -41.59 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.199 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -12.08 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.195 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.4 t -89.54 -18.24 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.84 11.21 81.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.84 -42.14 98.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.685 0.278 . . . . 1.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.52 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.7 m-85 -96.02 -0.51 50.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.895 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -111.13 129.89 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 1.0 110.466 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.57 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.3 mtt180 . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.847 0.356 . . . . 1.0 110.443 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.491 HG23 HD22 ' B' ' 694' ' ' LEU . 21.3 tt -64.72 -24.39 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.929 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.491 HD22 HG23 ' B' ' 693' ' ' ILE . 4.3 mm? -61.91 -42.12 98.72 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -64.01 -44.05 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.727 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.41 -44.5 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.684 HD21 ' HB3' ' A' ' 968' ' ' TRP . 36.6 mt -62.15 -42.52 99.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.599 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.46 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.0 m -61.51 -45.8 92.67 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.518 0.562 . . . . 1.0 112.518 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.252 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -63.24 -40.04 96.32 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.06 0.457 . . . . 1.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.86 -38.13 95.67 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.79 96.16 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.528 HG21 ' HA3' ' A' ' 976' ' ' GLY . 46.8 mm -61.79 -43.34 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.403 0.62 . . . . 1.0 110.471 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.417 HD21 HD13 ' A' ' 979' ' ' LEU . 91.3 mt -61.76 -39.84 93.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.542 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.23 -42.89 99.39 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.27 -42.31 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-O 122.187 0.994 . . . . 1.0 109.424 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.16 97.92 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.031 -1.628 . . . . 1.0 109.031 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.45 -42.67 98.65 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.461 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.24 93.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.69 94.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.3 -42.75 99.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.888 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.629 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.52 -43.89 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.52 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -62.39 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.806 0.812 . . . . 1.0 108.935 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.93 91.66 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.364 -0.835 . . . . 1.0 109.697 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.14 -42.41 99.47 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.015 -0.674 . . . . 1.0 111.042 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.01 -45.15 94.87 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.965 0.412 . . . . 1.0 111.834 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 993' ' ' PHE . 20.7 tt -68.5 -35.95 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.604 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 17.0 m -60.43 -44.82 95.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.562 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.72 99.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 120.051 -0.66 . . . . 1.0 110.241 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -67.29 -39.17 85.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.655 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.57 ' CG ' HH12 ' A' ' 995' ' ' ARG . 66.1 t0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.11 0.481 . . . . 1.0 110.569 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 967' ' ' TRP . 20.7 tt . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.68 0.276 . . . . 1.0 111.723 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . 0.484 ' N ' HG23 ' A' ' 966' ' ' ILE . 89.6 m95 -58.07 -38.34 76.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.45 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -60.5 -37.99 82.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.819 -0.353 . . . . 1.0 111.007 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 973' ' ' VAL . 54.4 t -62.64 -45.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.679 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 970' ' ' LEU . 11.3 mp -62.65 -41.05 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.391 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.86 -45.47 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.207 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.91 -38.36 95.98 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.579 -1.008 . . . . 1.0 110.579 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.8 t -63.17 -44.49 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 1.0 110.446 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.13 -42.87 99.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.28 -34.63 90.47 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.964 -1.254 . . . . 1.0 109.964 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.508 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -63.31 -37.21 94.5 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.41 -41.04 98.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.84 -40.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.265 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.03 -45.11 96.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.638 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.487 HD13 ' HA2' ' B' ' 708' ' ' GLY . 53.9 tp -64.53 -42.49 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.2 m -63.22 -45.54 91.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.67 -0.696 . . . . 1.0 111.178 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.36 -44.3 98.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 120.912 -0.315 . . . . 1.0 111.033 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.415 ' CD2' HD11 ' B' ' 712' ' ' LEU . 56.5 tp -63.04 -43.44 98.68 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.312 0.577 . . . . 1.0 110.457 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 980' ' ' LEU . 63.1 t -64.81 -41.01 91.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.184 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.02 -43.16 99.43 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.48 -0.888 . . . . 1.0 111.298 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.75 90.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.231 -0.588 . . . . 1.0 110.363 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.53 -41.22 93.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.806 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.0 t90 -60.8 -39.28 88.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.78 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -11.71 41.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.119 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -89.05 -20.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.381 -0.528 . . . . 1.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.64 2.07 87.58 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.01 -42.52 99.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 1.0 111.383 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -91.26 -3.56 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.394 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -111.37 125.67 54.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.903 0.383 . . . . 1.0 110.0 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.522 HH12 ' CG ' ' B' ' 723' ' ' ASP . 95.0 mtt180 . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.824 0.345 . . . . 1.0 110.242 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.75 -26.03 39.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.004 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.96 -41.04 97.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.059 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.88 -44.53 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.71 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.609 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -41.85 99.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.689 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.33 -42.19 98.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.091 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 59.2 m -60.8 -42.01 96.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.61 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.97 -41.46 99.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.89 -41.02 98.89 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.332 -0.707 . . . . 1.0 111.332 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.624 0.25 . . . . 1.0 111.336 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.508 HD13 ' HA3' ' A' ' 976' ' ' GLY . 87.2 mt -63.42 -44.24 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.02 -41.64 99.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.65 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.227 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.29 -43.98 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.202 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . 0.487 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -63.55 -42.51 98.85 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.492 -1.043 . . . . 1.0 110.492 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.7 -42.16 98.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 1.0 110.702 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.45 93.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.115 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.43 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.258 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 983' ' ' LEU . 92.8 mt -63.72 -41.32 98.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.505 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.27 -42.44 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.26 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.22 -43.81 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.244 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -62.17 -45.13 94.78 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.689 0.757 . . . . 1.0 109.302 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -38.86 92.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.69 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.69 -41.57 97.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.42 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.06 -44.13 97.35 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.683 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.437 HG23 ' CZ ' ' A' ' 995' ' ' ARG . 96.2 mt -65.25 -41.82 92.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.306 0 CA-C-O 122.4 1.095 . . . . 1.0 110.797 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 35.8 m -60.81 -44.88 96.29 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.894 -1.048 . . . . 1.0 111.774 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . 0.41 HG13 ' N ' ' B' ' 722' ' ' HIS . 38.6 pt -63.88 -42.41 95.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.095 -1.042 . . . . 1.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . 0.41 ' N ' HG13 ' B' ' 721' ' ' ILE . 71.1 m80 -67.11 -38.25 85.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.464 -0.894 . . . . 1.0 111.097 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.522 ' CG ' HH12 ' A' ' 995' ' ' ARG . 54.2 m-20 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.005 0.431 . . . . 1.0 111.095 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -58.31 -38.93 78.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.871 -0.731 . . . . 1.0 110.259 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -61.05 -38.74 87.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.02 0.438 . . . . 1.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 973' ' ' VAL . 59.6 t -64.69 -43.78 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.702 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.936 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.85 -41.21 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.406 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.0 -38.67 96.36 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.5 t -62.41 -45.29 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 1.0 110.4 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.28 -42.6 99.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.297 -0.41 . . . . 1.0 109.962 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.52 76.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.2 -36.34 90.44 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 977' ' ' LEU . 11.3 mp -61.71 -38.65 88.65 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.134 0.493 . . . . 1.0 109.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.84 -39.13 90.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.81 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.405 HD21 HD21 ' B' ' 705' ' ' LEU . 31.3 tp -60.87 -45.91 92.69 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.174 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.521 HD13 ' HA2' ' B' ' 708' ' ' GLY . 54.0 tp -65.07 -41.7 94.82 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.927 -0.709 . . . . 1.0 109.854 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.9 m -61.57 -44.5 96.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.908 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -43.73 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.471 -0.492 . . . . 1.0 110.982 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.329 -0.548 . . . . 1.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 980' ' ' LEU . 62.8 t -64.23 -44.12 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.866 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.16 -42.54 99.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.329 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.83 99.75 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.725 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.76 -41.29 92.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.0 0.428 . . . . 1.0 110.741 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -62.32 -39.8 94.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.445 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -11.79 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.069 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.28 -19.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.516 -0.474 . . . . 1.0 110.138 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 81.53 6.32 89.26 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.362 -1.095 . . . . 1.0 110.362 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.64 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.823 0.344 . . . . 1.0 110.746 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.429 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 74.2 m-85 -95.58 0.65 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.169 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -88.07 130.99 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.209 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.521 HH22 ' CG ' ' B' ' 723' ' ' ASP . 28.2 mmt85 . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.524 0.194 . . . . 1.0 111.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.447 HG23 ' N ' ' B' ' 694' ' ' LEU . 19.5 tt -66.02 -40.36 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.447 ' N ' HG23 ' B' ' 693' ' ' ILE . 91.3 mt -62.54 -42.15 99.35 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.98 -44.83 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.125 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.6 -44.44 98.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.482 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.043 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -40.57 96.67 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.592 0.71 . . . . 1.0 109.791 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.7 m -62.94 -39.87 95.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.223 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.95 -45.31 99.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.27 -40.7 98.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.38 96.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.17 95.22 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.405 HD21 HD21 ' A' ' 979' ' ' LEU . 85.0 mt -64.16 -41.7 97.05 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.751 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.68 -44.11 97.08 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.809 -178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 21.4 tt -70.31 -39.95 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.851 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . 0.521 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -60.95 -43.25 99.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.25 -40.74 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 1.0 110.643 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.19 90.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.603 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.06 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.13 -42.09 99.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.332 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.05 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.83 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.42 -43.81 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 1.0 109.994 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.429 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 2.1 t90 -61.8 -45.02 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.784 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.68 -42.87 97.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.313 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.98 -45.1 94.03 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.52 HD11 ' NH2' ' A' ' 995' ' ' ARG . 21.0 tt -69.4 -38.5 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 96.2 m -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.396 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.41 -43.75 98.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 1.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -63.97 -38.8 92.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.712 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.0 m-20 . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.365 0.602 . . . . 1.0 109.94 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.4 pt . . . . . 0 CA--C 1.529 0.166 0 N-CA-C 111.92 0.341 . . . . 1.0 111.92 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . 0.555 ' O ' HG23 ' A' ' 971' ' ' VAL . 87.1 m95 -62.15 -38.48 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.376 -0.53 . . . . 1.0 111.482 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.61 -47.62 84.61 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.354 0.501 . . . . 1.0 112.354 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.43 -35.84 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.036 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 967' ' ' TRP . 75.7 t -64.15 -43.76 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.088 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.14 98.56 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.143 -0.551 . . . . 1.0 112.539 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 16.8 m -65.12 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.589 0.694 . . . . 1.0 110.387 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.85 -41.44 99.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.22 -26.54 67.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -59.25 -40.65 96.13 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.54 -42.41 99.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.707 -0.397 . . . . 1.0 109.997 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 978' ' ' LEU . 11.0 mp -63.19 -41.39 99.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.61 -42.19 99.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.813 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 984' ' ' VAL . 45.9 tp -66.38 -39.99 89.43 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.184 1.468 . . . . 1.0 109.291 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 49.2 m -64.52 -44.22 91.55 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.269 -0.973 . . . . 1.0 111.552 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.14 -45.0 99.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.26 -41.59 99.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.284 0.564 . . . . 1.0 110.111 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 980' ' ' LEU . 68.8 t -64.36 -43.45 97.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.727 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.43 -43.64 98.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.911 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.64 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.7 -39.89 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 1.0 110.911 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.461 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.5 t90 -60.53 -39.7 88.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.336 0.588 . . . . 1.0 109.964 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -12.31 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.969 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 986' ' ' ALA . 79.9 t -91.16 -12.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 12.47 69.73 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.23 -42.79 99.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.441 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -87.86 -3.48 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.501 -0.479 . . . . 1.0 111.122 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -102.13 123.92 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.559 HH12 ' CG ' ' B' ' 723' ' ' ASP . 76.1 ttt180 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.061 0.458 . . . . 1.0 110.709 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.27 -26.65 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.553 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.52 -44.16 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.052 0.453 . . . . 1.0 110.024 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.77 -44.45 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.23 -43.58 98.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.15 -42.3 96.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.618 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.3 m -60.89 -44.76 96.68 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.65 -37.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.56 -0.456 . . . . 1.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.63 -40.87 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.613 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.27 97.41 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.73 92.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.728 0.299 . . . . 1.0 111.054 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.39 -43.48 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.272 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.25 -42.1 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.48 -43.63 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.11 99.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.88 -41.81 99.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 1.0 110.32 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.914 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 110.687 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.39 -40.91 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.096 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.48 -41.74 99.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.247 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.22 -44.0 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.46 -41.95 86.33 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.987 0.898 . . . . 1.0 109.152 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.458 ' CE ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -61.01 -41.53 96.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' B' ' 717' ' ' LEU . 89.5 mt -62.09 -39.86 93.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.599 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.22 -40.83 95.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 119.909 -0.716 . . . . 1.0 110.698 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.55 -42.77 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.389 0.614 . . . . 1.0 109.619 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' B' ' 716' ' ' LYS . 14.2 m -62.09 -43.44 98.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.592 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.9 -45.47 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.885 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -62.66 -38.65 91.16 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.047 0.451 . . . . 1.0 110.76 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.559 ' CG ' HH12 ' A' ' 995' ' ' ARG . 52.4 m-20 . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 120.346 -0.541 . . . . 1.0 109.592 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.4 pt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 111.482 0.179 . . . . 1.0 111.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -58.05 -38.08 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -62.03 -38.26 88.01 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.489 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 973' ' ' VAL . 44.0 t -62.63 -44.63 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -40.61 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.144 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.63 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.2 93.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 969' ' ' VAL . 72.5 t -62.61 -44.43 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 1.0 110.267 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -41.74 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.875 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.25 -37.41 94.83 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.117 -1.193 . . . . 1.0 110.117 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.603 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.04 -37.75 95.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.54 -41.81 99.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 978' ' ' LEU . 90.2 mt -62.51 -40.11 95.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.384 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.702 HD13 HD21 ' B' ' 705' ' ' LEU . 78.4 mt -61.15 -44.14 97.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.586 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.5 tp -64.01 -42.43 97.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.551 . . . . 1.0 110.002 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 89.0 m -62.56 -45.19 94.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.539 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.22 -44.24 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.313 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.4 -42.56 98.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.123 0.487 . . . . 1.0 109.988 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 980' ' ' LEU . 75.3 t -64.2 -43.99 97.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.23 -42.79 99.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.353 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.39 -43.26 99.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.181 -0.608 . . . . 1.0 110.851 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 96.8 mmm -64.65 -42.47 95.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.328 0.585 . . . . 1.0 110.608 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -63.68 -41.15 98.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 1.0 111.079 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -12.58 60.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.957 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 986' ' ' ALA . 36.0 t -89.4 -19.13 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.717 -0.475 . . . . 1.0 109.717 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.17 12.12 81.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 110.287 -1.125 . . . . 1.0 110.287 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -42.34 99.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.657 -1.238 . . . . 1.0 107.657 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -86.04 -3.34 58.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.677 -0.692 . . . . 1.0 111.614 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.68 124.37 34.54 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.448 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' B' ' 723' ' ' ASP . 80.1 mtp85 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 . . . . . 0 C--O 1.228 -0.064 0 CA-C-O 120.831 0.348 . . . . 1.0 110.383 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.454 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.9 tt -65.54 -38.89 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.5 tp -61.64 -43.01 99.65 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.111 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.5 -44.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.623 ' O ' HG13 ' B' ' 700' ' ' VAL . 73.7 t -64.12 -44.25 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.657 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.97 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.26 -42.47 99.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 63.8 m -61.3 -44.53 97.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . 0.623 HG13 ' O ' ' B' ' 696' ' ' VAL . 1.5 m -65.77 -41.97 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.735 -0.786 . . . . 1.0 110.12 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' B' ' 700' ' ' VAL . 94.1 mtp -63.49 -40.97 98.5 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.66 -41.35 99.07 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.218 -0.753 . . . . 1.0 111.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.6 94.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.314 0.578 . . . . 1.0 110.686 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.603 HG21 ' HA3' ' A' ' 976' ' ' GLY . 97.4 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.257 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 979' ' ' LEU . 71.3 mt -61.73 -41.34 97.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.729 -0.471 . . . . 1.0 109.729 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.01 -43.59 98.34 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.48 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.56 -46.08 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.726 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.36 98.88 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.127 -1.035 . . . . 1.0 110.978 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.72 -42.63 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.489 . . . . 1.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.04 95.52 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.738 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.99 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.549 -0.461 . . . . 1.0 110.816 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.68 -41.79 98.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.513 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.92 -42.41 99.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.44 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.38 -43.77 96.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.418 0.627 . . . . 1.0 109.332 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.51 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 1.0 109.693 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.12 -41.11 97.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.732 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.76 -36.39 83.73 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 122.134 0.969 . . . . 1.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' B' ' 723' ' ' ASP . 75.8 mt -69.52 -43.18 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.33 -1.348 . . . . 1.0 111.227 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -64.3 -48.14 76.79 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.4 mm -65.44 -48.43 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 119.42 -0.912 . . . . 1.0 111.576 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.9 -42.66 80.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.558 ' CG ' HH22 ' A' ' 995' ' ' ARG . 65.5 t0 . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.76 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 21.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.909 0.385 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -57.46 -36.32 71.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.422 ' CD1' HD13 ' B' ' 693' ' ' ILE . 98.4 m95 -56.92 -40.28 76.04 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.379 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 973' ' ' VAL . 50.5 t -66.49 -42.73 90.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.38 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.44 -42.62 99.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.824 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.1 m -64.18 -41.24 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.177 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.61 96.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.8 t -62.63 -44.72 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.96 0.409 . . . . 1.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.17 -42.59 99.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.51 94.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.4 94.69 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.89 -40.92 99.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.572 . . . . 1.0 109.499 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.915 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.495 HD21 HD13 ' B' ' 705' ' ' LEU . 44.3 tp -61.15 -45.29 95.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.95 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.96 -42.34 94.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 1.0 110.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.8 m -62.19 -45.68 92.29 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.767 -0.652 . . . . 1.0 112.639 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 42.3 pt -65.3 -41.59 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.215 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.42 -42.54 99.52 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.206 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.59 -44.0 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.408 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.44 -42.69 99.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.449 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.36 -41.56 98.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.014 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.4 mmm -65.66 -40.63 92.63 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -64.26 -39.74 94.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.495 0.664 . . . . 1.0 110.464 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -13.42 62.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.219 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 986' ' ' ALA . 83.9 t -87.16 -15.34 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.054 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.61 71.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 3.5 t80 -61.5 -42.66 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 1.0 111.52 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.481 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 62.4 m-85 -96.31 4.61 52.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.475 -0.49 . . . . 1.0 111.549 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.38 125.5 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.857 -0.423 . . . . 1.0 109.857 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.551 HH22 ' CG ' ' B' ' 723' ' ' ASP . 41.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . 0.528 ' O ' HG23 ' B' ' 696' ' ' VAL . 96.9 m-20 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.986 0.422 . . . . 1.0 110.624 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.422 HD13 ' CD1' ' A' ' 968' ' ' TRP . 93.5 mt -63.52 -43.21 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.985 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.91 -42.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.771 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 692' ' ' ASP . 71.1 t -63.45 -44.08 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.418 -0.81 . . . . 1.0 110.773 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.33 -43.42 98.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.779 -0.369 . . . . 1.0 110.076 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.2 -42.28 99.28 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 60.7 m -60.74 -41.92 96.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.578 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 696' ' ' VAL . 54.0 t -62.01 -46.67 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -63.95 -41.14 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.53 -41.59 94.08 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.187 -0.53 . . . . 1.0 111.807 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.45 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' B' ' 704' ' ' ILE . 5.9 tp -68.24 -39.6 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.955 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 979' ' ' LEU . 51.5 tp -62.82 -42.26 99.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 1.0 110.367 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.49 -42.77 99.72 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.71 -43.85 98.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.101 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.11 99.73 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.378 -1.089 . . . . 1.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.24 -42.43 99.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 1.0 110.407 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.06 85.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.26 89.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.903 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.22 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.391 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.623 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.3 -43.92 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.481 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.4 -44.2 97.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.141 -0.689 . . . . 1.0 109.141 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.97 85.58 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.07 0.938 . . . . 1.0 109.406 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.74 -43.21 94.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.921 -1.112 . . . . 1.0 110.753 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.4 -43.21 98.17 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 112.723 0.638 . . . . 1.0 112.723 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.36 -38.75 77.91 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 119.015 -1.074 . . . . 1.0 109.646 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.4 m -60.64 -42.51 97.09 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.23 0.538 . . . . 1.0 111.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.21 -42.29 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.837 -0.539 . . . . 1.0 110.631 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -67.6 -37.69 82.91 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.562 -0.711 . . . . 1.0 110.164 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH22 ' A' ' 995' ' ' ARG . 55.2 m-20 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 120.626 -0.429 . . . . 1.0 111.507 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 969' ' ' VAL . 45.4 pt . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 121.093 0.473 . . . . 1.0 110.834 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.71 -38.58 85.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.657 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -60.45 -46.96 88.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.0 p -68.51 -33.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.395 -0.522 . . . . 1.0 111.009 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.43 -43.88 97.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.385 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 18.9 m -65.54 -40.14 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.2 -40.31 98.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 969' ' ' VAL . 76.3 t -63.49 -44.52 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 1.0 110.264 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.43 -41.82 98.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.376 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.51 -40.58 98.89 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.31 -0.716 . . . . 1.0 111.31 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.472 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.89 -42.47 99.67 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.466 -1.054 . . . . 1.0 110.466 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.69 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.295 0.569 . . . . 1.0 110.096 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.44 -41.1 98.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.725 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.712 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.7 tt -61.06 -44.84 96.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.801 -0.36 . . . . 1.0 110.678 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.1 tp -63.18 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.086 0.469 . . . . 1.0 110.131 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.51 -44.64 95.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.605 -0.725 . . . . 1.0 112.325 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.09 -44.5 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.791 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.16 -41.86 99.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.413 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 980' ' ' LEU . 69.9 t -63.9 -44.38 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.36 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.457 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.28 96.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.485 -0.486 . . . . 1.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 66.7 mtt -65.96 -40.56 91.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 1.0 110.532 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.447 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.3 t90 -62.12 -39.57 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.398 0.618 . . . . 1.0 109.865 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -35.48 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.683 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.528 ' O ' HG12 ' A' ' 990' ' ' VAL . 48.5 t -86.49 -4.37 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.611 -0.435 . . . . 1.0 111.129 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.81 7.57 88.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.18 -41.56 98.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.937 0.399 . . . . 1.0 110.646 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 3.9 m-30 -87.27 -4.95 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.63 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 991' ' ' GLY . 75.5 mmtt -126.95 125.76 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.533 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 62.5 ttp180 . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.151 -0.685 . . . . 1.0 109.151 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.85 0.357 . . . . 1.0 110.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.463 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.7 tt -65.34 -38.75 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.021 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.463 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.7 tp -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.337 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.624 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.83 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.598 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.23 -45.66 92.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.279 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.99 -41.79 95.1 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.188 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 78.1 p -62.08 -44.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.412 0.523 . . . . 1.0 112.412 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.7 -40.67 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 119.901 -0.72 . . . . 1.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.87 -41.15 97.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.303 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.66 96.5 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.63 99.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.961 0.41 . . . . 1.0 110.632 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.472 HG21 ' HA3' ' A' ' 976' ' ' GLY . 96.6 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.714 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.444 HD21 HD13 ' A' ' 979' ' ' LEU . 77.5 mt -64.23 -41.37 97.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.453 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.99 -42.03 99.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 46.4 pt -68.35 -40.32 82.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.02 99.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.24 -42.79 99.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 1.0 110.38 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.22 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.34 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.71 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.252 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -44.17 97.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.403 ' N ' HD12 ' B' ' 713' ' ' LEU . 11.1 mp -63.43 -41.42 98.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.2 -44.25 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.319 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.428 ' CE3' ' CE2' ' A' ' 993' ' ' PHE . 2.0 t90 -62.03 -44.53 96.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.174 -0.676 . . . . 1.0 109.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -39.12 91.34 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.287 0.565 . . . . 1.0 109.753 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.47 -40.01 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.834 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.77 -42.8 98.22 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.745 0.307 . . . . 1.0 110.215 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.65 -42.7 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.987 0.422 . . . . 1.0 110.408 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.0 m -61.09 -39.39 89.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -43.06 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.618 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -64.46 -41.5 96.49 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.252 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.533 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 55.1 m-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.708 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 CA--C 1.529 0.143 0 N-CA-C 111.723 0.268 . . . . 1.0 111.723 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -58.48 -39.97 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.09 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.5 ' CD1' HD12 ' B' ' 693' ' ' ILE . 98.1 m95 -63.4 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.59 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.88 -44.34 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.195 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -41.73 98.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.033 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.82 -44.92 99.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.32 -39.77 97.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.28 -44.27 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.961 0.41 . . . . 1.0 110.111 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -42.6 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.919 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.18 -34.14 89.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.657 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.09 -34.69 89.84 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.478 -1.049 . . . . 1.0 110.478 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.9 -40.49 95.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 1.0 110.156 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 978' ' ' LEU . 11.2 mp -62.15 -39.72 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.048 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.27 -43.85 98.2 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.971 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 984' ' ' VAL . 3.9 mm? -64.71 -39.84 94.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.774 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 96.6 m -62.06 -44.82 95.85 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.267 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.26 -44.63 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.503 -0.479 . . . . 1.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.05 -41.62 97.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.744 0.307 . . . . 1.0 110.346 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 980' ' ' LEU . 72.8 t -62.59 -44.54 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.895 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.4 -42.72 99.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.086 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.2 96.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.409 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 91.1 mmm -64.87 -41.62 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.313 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -63.04 -39.45 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.042 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.79 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.419 -0.809 . . . . 1.0 110.677 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -86.6 -17.34 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.133 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.43 9.72 84.49 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.549 -1.021 . . . . 1.0 110.549 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.765 0.793 . . . . 1.0 108.868 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -88.66 -3.09 58.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.043 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -113.95 125.02 53.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.556 HH12 ' CG ' ' B' ' 723' ' ' ASP . 10.6 tpp85 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 108.616 -0.883 . . . . 1.0 108.616 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.784 0.326 . . . . 1.0 110.282 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 968' ' ' TRP . 32.3 mm -64.74 -43.29 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.64 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.32 -41.49 98.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.97 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 700' ' ' VAL . 31.3 m -65.36 -40.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.87 -43.64 98.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.117 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.24 -43.35 98.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 1.0 110.024 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.4 m -60.96 -42.05 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.54 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 696' ' ' VAL . 53.3 t -62.62 -45.04 99.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.2 mtp -62.73 -41.1 99.01 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.259 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.98 97.36 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.58 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.27 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.657 HG21 ' HA3' ' A' ' 976' ' ' GLY . 44.4 mm -64.01 -41.98 94.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 111.518 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.75 -42.67 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.003 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 706' ' ' LEU . 77.5 mt -62.89 -41.52 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.115 0.484 . . . . 1.0 109.855 178.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.25 -43.13 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.794 0.806 . . . . 1.0 111.007 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . 0.545 ' CA ' HD11 ' A' ' 980' ' ' LEU . . . -61.03 -42.04 99.65 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.032 -0.986 . . . . 1.0 111.382 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.31 -41.78 98.97 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.702 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.26 94.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.726 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.81 95.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 1.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.23 -41.42 99.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.274 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.14 -43.67 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.329 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.44 -45.8 92.35 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.184 -0.672 . . . . 1.0 109.184 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -40.54 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.585 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -42.29 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.445 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.85 -41.75 99.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.13 0.491 . . . . 1.0 110.394 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 119.751 -0.779 . . . . 1.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -63.7 -48.5 76.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 35.1 mm -63.57 -47.32 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.453 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -68.07 -43.06 79.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.892 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.556 ' CG ' HH12 ' A' ' 995' ' ' ARG . 64.7 t0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 1.0 110.439 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.817 0.341 . . . . 1.0 111.803 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 967' ' ' TRP . . . . . 0.441 ' O ' HG23 ' A' ' 971' ' ' VAL . 98.9 m95 -56.26 -36.98 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.527 -177.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.772 ' CD1' HD11 ' B' ' 693' ' ' ILE . 98.7 m95 -58.51 -43.62 89.17 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.374 -0.531 . . . . 1.0 110.51 -179.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 973' ' ' VAL . 48.5 t -65.01 -43.27 96.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.082 0.468 . . . . 1.0 110.382 178.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.06 -41.14 97.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 967' ' ' TRP . 61.9 t -60.8 -45.18 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.339 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.64 92.26 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 969' ' ' VAL . 56.5 t -62.91 -44.77 99.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.484 0.183 . . . . 1.0 111.301 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.37 -40.98 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.6 -41.51 99.59 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.512 -1.035 . . . . 1.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.56 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.66 -38.22 95.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 1.0 110.267 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.19 -41.04 97.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.373 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' B' ' 705' ' ' LEU . 39.9 tp -61.66 -44.29 97.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.864 -0.334 . . . . 1.0 111.135 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 984' ' ' VAL . 53.6 tp -63.82 -42.17 97.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.905 0.383 . . . . 1.0 110.358 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 91.9 m -62.31 -45.25 94.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.139 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.5 -43.75 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.863 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.655 HD21 HD12 ' B' ' 712' ' ' LEU . 53.3 tp -62.51 -43.25 99.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 1.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 980' ' ' LEU . 73.1 t -63.82 -44.59 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.627 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.4 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.106 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.25 -41.86 98.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.586 -0.446 . . . . 1.0 111.106 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.6 mtp -65.8 -39.99 91.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.217 0.532 . . . . 1.0 110.519 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 11.7 t90 -65.41 -40.37 93.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.423 0.63 . . . . 1.0 110.217 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -11.16 60.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.466 -179.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.3 t -88.26 -16.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.055 0.455 . . . . 1.0 110.109 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 991' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 84.27 10.59 79.92 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 992' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 992' ' ' PHE . 3.9 t80 -61.22 -42.75 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.984 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 67.2 m-85 -86.93 -2.15 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 994' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.6 tttt -114.73 130.92 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.9 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.919 ' NH1' HD11 ' B' ' 719' ' ' ILE . 94.6 mtm-85 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.85 -0.796 . . . . 1.0 108.85 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 693' ' ' ILE . . . . . 0.772 HD11 ' CD1' ' A' ' 968' ' ' TRP . 21.1 tt -65.71 -39.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.019 0.437 . . . . 1.0 111.123 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 694' ' ' LEU . . . . . 0.466 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.9 tp -62.61 -42.83 99.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.462 -178.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.37 -46.98 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.797 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 23.1 m -66.25 -39.95 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.047 -0.261 . . . . 1.0 110.95 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.56 -43.33 99.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.19 -41.03 97.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.599 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -44.01 97.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 112.054 -178.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.5 m -65.86 -41.05 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 119.666 -0.814 . . . . 1.0 110.487 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -63.41 -40.51 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 -179.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.82 -34.22 86.58 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 111.699 -0.56 . . . . 1.0 111.699 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.67 98.31 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.771 -0.772 . . . . 1.0 109.524 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.56 HG21 ' HA3' ' A' ' 976' ' ' GLY . 51.0 mm -63.99 -43.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.454 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.447 ' CD2' HD23 ' A' ' 979' ' ' LEU . 95.8 mt -60.47 -43.57 96.79 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.621 -0.832 . . . . 1.0 110.79 -178.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.84 -39.15 93.54 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.621 0.724 . . . . 1.0 110.158 179.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 86.8 mt -66.79 -43.54 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.877 0.846 . . . . 1.0 111.608 179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . 0.453 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -62.88 -44.36 97.55 Favored Glycine 0 N--CA 1.474 1.214 0 N-CA-C 109.806 -1.317 . . . . 1.0 109.806 -179.088 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.77 -42.86 97.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.481 . . . . 1.0 110.1 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.9 95.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.035 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.44 94.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.591 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.668 ' C ' HD23 ' B' ' 712' ' ' LEU . 7.7 tt -62.63 -43.34 99.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.466 -0.333 . . . . 1.0 110.316 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.86 -42.95 99.95 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.662 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.63 -43.85 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.597 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.1 -44.95 96.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.486 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.1 OUTLIER -60.55 -46.66 89.38 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.203 -1.036 . . . . 1.0 108.203 179.831 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.89 -40.71 97.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.397 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.08 -44.27 97.04 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.616 0.599 . . . . 1.0 112.616 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.919 HD11 ' NH1' ' A' ' 995' ' ' ARG . 13.8 tt -68.27 -42.56 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 118.78 -1.168 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . 0.486 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 19.7 m -65.17 -48.7 72.56 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 -179.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.58 -45.14 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . 0.5 ' CE1' ' OD1' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.87 -41.4 82.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.899 179.65 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.55 ' OD2' ' NH1' ' A' ' 995' ' ' ARG . 51.3 m-20 . . . . . 0 C--N 1.329 -0.298 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.383 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.592 -1.403 . . . . 12.86 109.592 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 959' ' ' LEU . . . -110.35 24.85 12.46 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.914 -0.168 . . . . 11.62 110.994 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 961' ' ' GLU . 1.5 mm? 36.5 -113.57 0.09 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.71 0.291 . . . . 10.98 110.661 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -33.35 91.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.826 -0.625 . . . . 9.39 111.349 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 959' ' ' LEU . 1.2 mt-10 177.48 174.85 0.47 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.216 1.008 . . . . 8.41 113.561 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 961' ' ' GLU . 82.0 mtm-85 38.3 -175.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 113.124 -1.853 . . . . 8.38 113.614 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -101.32 121.6 42.19 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 114.981 -1.009 . . . . 3.84 112.557 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 966' ' ' ILE . 2.2 pt -105.62 89.67 3.59 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 107.213 -1.403 . . . . 6.02 107.213 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.625 ' O ' HG23 ' A' ' 969' ' ' VAL . 6.5 Cg_endo -51.45 -0.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.566 1.511 . . . . 2.44 113.837 -176.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 964' ' ' ILE . 96.1 mt -62.55 -43.67 98.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 119.331 -0.948 . . . . 2.64 111.319 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -67.61 -48.86 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.383 -0.927 . . . . 1.87 110.345 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.629 ' CG ' HD11 ' B' ' 693' ' ' ILE . 81.2 m95 -61.82 -37.76 85.64 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.131 -0.94 . . . . 1.38 110.626 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 965' ' ' PRO . 37.4 t -62.38 -43.77 98.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.085 -0.709 . . . . 1.41 109.085 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 966' ' ' ILE . 6.4 mp -61.98 -40.73 96.62 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.869 -0.789 . . . . 1.99 108.869 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.59 -46.48 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.494 -0.558 . . . . 1.38 109.494 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.5 97.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.347 -1.101 . . . . 0.67 110.347 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 969' ' ' VAL . 54.2 t -63.72 -44.74 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.907 -0.405 . . . . 0.88 109.907 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.12 -44.07 97.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.028 0.442 . . . . 1.95 110.218 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.51 96.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.828 -0.909 . . . . 0.84 110.828 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.57 96.72 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.503 -1.039 . . . . 0.76 110.503 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.24 -40.79 97.35 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.171 -0.677 . . . . 1.99 109.171 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 7.9 tp -62.46 -40.7 97.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.158 -0.928 . . . . 1.84 110.622 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.956 -0.565 . . . . 1.84 110.484 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.02 110.627 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.5 m -61.4 -42.3 98.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.941 -0.572 . . . . 0.59 110.723 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.14 -44.51 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.917 -0.313 . . . . 1.14 111.481 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.65 -42.62 98.08 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.251 -0.58 . . . . 1.77 110.602 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.58 110.275 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.57 -43.19 99.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.839 -0.619 . . . . 1.72 110.795 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.89 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.516 -0.311 . . . . 0.68 111.616 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 41.4 mtt -66.5 -39.25 88.6 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.639 -0.425 . . . . 1.98 110.721 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.435 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 13.8 t90 -59.36 -38.49 80.57 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.611 -0.436 . . . . 1.3 109.923 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -13.59 62.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.123 -0.49 . . . . 1.29 110.61 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 990' ' ' VAL . 72.6 t -91.59 -12.84 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.921 -0.4 . . . . 1.18 109.921 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.35 86.3 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.822 -1.311 . . . . 0.85 109.822 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.44 -39.85 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.201 -0.499 . . . . 2.52 110.743 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -92.47 -3.59 54.93 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.183 -0.462 . . . . 2.58 109.958 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -102.68 128.06 49.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.894 -0.593 . . . . 3.57 110.108 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -137.65 147.94 45.35 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 109.661 -0.496 . . . . 2.03 109.661 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -88.61 112.72 23.39 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.514 -0.551 . . . . 3.08 109.514 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.31 160.7 33.23 Favored Pre-proline 0 N--CA 1.475 0.777 0 CA-C-N 115.777 -0.647 . . . . 4.0 110.192 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 N--CA 1.495 1.563 0 C-N-CA 122.689 2.26 . . . . 3.49 111.853 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . 0.646 ' O ' ' N ' ' B' ' 687' ' ' SER . 4.4 Cg_exo . . . . . 0 N--CA 1.483 0.88 0 N-CA-C 107.836 -1.64 . . . . 15.53 107.836 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 687' ' ' SER . 41.1 tp10 -50.66 82.91 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.46 -0.496 . . . . 14.61 109.693 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . 0.727 ' H ' ' HD3' ' B' ' 688' ' ' PRO . 73.0 m 126.68 57.94 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.372 0 O-C-N 124.998 1.436 . . . . 11.53 110.558 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . 0.727 ' HD3' ' H ' ' B' ' 687' ' ' SER . 32.3 Cg_exo -56.65 -33.78 94.2 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 N-CA-C 106.336 -2.217 . . . . 10.37 106.336 178.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.48 -28.79 0.76 Allowed 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 111.378 -2.646 . . . . 10.81 105.407 177.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' B' ' 692' ' ' ASP . . . 41.84 -104.13 0.04 OUTLIER Glycine 0 CA--C 1.527 0.795 0 CA-C-N 113.727 -1.579 . . . . 6.13 110.784 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.517 ' C ' ' N ' ' B' ' 693' ' ' ILE . 32.1 Cg_exo -56.35 64.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 CA-C-N 120.009 1.904 . . . . 5.1 113.825 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 690' ' ' GLY . 12.5 m-20 -62.59 -7.14 4.2 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.443 -1.688 . . . . 3.0 106.443 175.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.629 HD11 ' CG ' ' A' ' 968' ' ' TRP . 3.6 tt -57.57 -39.85 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.138 0 CA-C-N 114.063 -1.426 . . . . 1.54 107.575 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.91 -47.5 77.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.271 -0.64 . . . . 1.88 109.271 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.23 -48.65 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 115.811 -0.631 . . . . 1.12 110.689 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.7 -44.88 93.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.443 -0.799 . . . . 1.08 110.407 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' B' ' 693' ' ' ILE . 59.0 tp -61.57 -43.8 98.2 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.31 -0.996 . . . . 1.21 108.31 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 31.4 mt -62.92 -44.54 95.81 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.223 -0.658 . . . . 1.95 109.223 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.5 m -63.98 -44.0 94.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.9 109.971 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.28 -47.31 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.41 -0.589 . . . . 1.68 109.41 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.16 -42.07 99.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.741 -0.663 . . . . 1.05 110.479 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.59 -42.35 95.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.543 -0.623 . . . . 0.62 111.543 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.36 99.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.63 110.647 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.15 -42.14 93.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.164 -0.471 . . . . 1.62 110.753 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.99 -41.88 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 1.92 109.313 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.386 -0.598 . . . . 2.02 109.386 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.23 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.134 -0.485 . . . . 1.19 110.177 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.9 -46.55 94.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.277 -1.129 . . . . 0.47 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.61 -43.0 95.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.835 0.35 . . . . 1.38 110.898 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.65 98.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.39 . . . . 0.6 111.501 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.31 95.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.059 0.457 . . . . 0.6 110.206 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.72 -40.8 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.77 -0.65 . . . . 2.28 109.552 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 33.1 tp -62.5 -41.75 99.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 1.82 110.23 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.72 -43.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 1.19 110.155 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -58.52 -41.96 86.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.71 95.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.331 -0.849 . . . . 1.28 109.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -40.66 94.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 1.93 110.129 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.41 -43.86 98.13 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.637 -0.425 . . . . 1.98 110.486 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -41.48 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.185 -0.672 . . . . 1.27 109.185 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.5 m -59.07 -44.6 91.88 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.519 -0.472 . . . . 1.1 109.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.87 -46.65 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.198 -0.601 . . . . 1.83 110.061 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -64.96 -42.38 94.64 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.68 -0.408 . . . . 2.15 110.261 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -66.63 -38.69 87.43 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.094 0.473 . . . . 1.86 110.086 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . 0.418 ' C ' ' H ' ' B' ' 726' ' ' GLU . 74.8 ttt-85 -70.65 -42.14 71.2 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.389 0.614 . . . . 5.2 110.624 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 725' ' ' LYS . 59.3 tttt -63.35 9.32 0.06 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.214 -0.903 . . . . 7.33 112.018 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 724' ' ' ARG . 80.8 mt-10 -56.69 -34.28 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.074 -1.016 . . . . 7.1 109.895 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.983 -1.008 . . . . 9.16 109.444 179.105 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 1.0 109.535 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.32 143.17 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 1.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.29 130.79 55.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -118.55 132.42 56.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.539 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.75 138.48 58.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -129.47 146.82 51.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.607 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.85 151.65 35.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 7.5 mm 48.53 72.05 1.39 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.221 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -60.44 143.23 99.46 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.671 2.248 . . . . 1.0 112.703 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.3 mm -67.28 -23.36 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.213 -0.903 . . . . 1.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -56.12 -36.81 68.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.42 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -59.37 -38.72 81.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.76 -44.35 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.715 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 970' ' ' LEU . 11.2 mp -62.21 -40.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.222 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.61 -45.29 98.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.55 -38.84 96.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.41 -44.29 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.61 0.243 . . . . 1.0 110.707 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.2 -42.95 99.76 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.673 -0.411 . . . . 1.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.65 -40.38 98.54 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.657 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.15 -37.85 95.14 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.834 -0.907 . . . . 1.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.68 -41.09 98.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 978' ' ' LEU . 89.8 mt -62.23 -39.87 94.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.589 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.859 HD13 HD21 ' B' ' 705' ' ' LEU . 87.8 mt -61.24 -44.29 97.5 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.831 -0.347 . . . . 1.0 110.819 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.8 tp -65.68 -42.9 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.046 0.451 . . . . 1.0 110.622 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 98.5 m -63.28 -46.73 85.47 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.736 -0.665 . . . . 1.0 112.708 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.0 tt -67.25 -41.21 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.358 -0.537 . . . . 1.0 111.142 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.6 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.1 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 980' ' ' LEU . 79.7 t -64.1 -44.49 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.82 -43.01 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.314 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.7 98.24 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.593 -0.443 . . . . 1.0 111.109 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.2 mmm -65.89 -39.78 90.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.448 . . . . 1.0 110.688 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.496 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.2 t90 -64.5 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.379 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -12.49 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 110.593 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 78.2 t -87.19 -20.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.302 -0.559 . . . . 1.0 109.635 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.45 5.78 89.65 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 110.293 -1.123 . . . . 1.0 110.293 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.75 -42.3 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 1.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 65.9 m-85 -89.24 -4.74 58.08 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.229 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -115.62 124.06 49.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.703 -0.481 . . . . 1.0 109.703 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.533 HH12 ' CG ' ' B' ' 723' ' ' ASP . 89.3 mtm180 -140.54 153.55 46.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -84.82 111.37 19.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.648 -0.821 . . . . 1.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 997' ' ' ARG . 0.0 OUTLIER -94.65 160.44 31.43 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.349 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 C--N 1.309 -1.541 0 C-N-CA 122.618 2.212 . . . . 1.0 112.141 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 N--CA 1.484 0.918 0 N-CA-C 109.575 -0.971 . . . . 1.0 109.575 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 52.2 p 51.87 72.5 1.18 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.56 145.36 97.84 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.937 2.425 . . . . 1.0 112.077 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.55 -43.99 97.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.564 ' O ' HG22 ' B' ' 693' ' ' ILE . . . -123.6 81.78 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.38 -34.78 82.22 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.804 2.336 . . . . 1.0 112.621 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.07 -10.92 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.197 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.564 HG22 ' O ' ' B' ' 690' ' ' GLY . 11.1 tp -65.43 -39.2 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.046 -0.353 . . . . 1.0 110.046 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.429 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.0 mt -62.69 -41.56 99.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.339 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.89 -44.72 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.94 -45.09 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.704 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.07 -43.18 99.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.728 0.299 . . . . 1.0 110.532 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.67 -39.86 95.4 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.651 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.4 m -60.36 -42.34 95.57 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.444 0.64 . . . . 1.0 110.671 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.35 -45.81 92.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.19 -1.004 . . . . 1.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 97.2 mtp -63.46 -40.98 98.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.303 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.89 -42.84 99.6 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.938 -0.649 . . . . 1.0 111.998 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.99 94.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 1.0 110.758 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.657 HG21 ' HA3' ' A' ' 976' ' ' GLY . 96.7 mt -64.69 -42.78 96.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.592 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 979' ' ' LEU . 35.7 mt -61.55 -41.84 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.795 -0.362 . . . . 1.0 110.19 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 1.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.05 -43.85 97.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.384 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.03 99.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.268 -1.133 . . . . 1.0 110.268 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.05 -42.18 99.66 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.5 84.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.798 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.51 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.529 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.69 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.683 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.44 -40.37 96.97 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.315 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.7 -42.87 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 1.0 110.384 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.445 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.7 t90 -59.98 -37.93 81.07 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.432 0.634 . . . . 1.0 110.0 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -45.03 88.14 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.72 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.97 -40.11 95.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.33 -44.45 96.46 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.351 0.501 . . . . 1.0 112.351 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.41 -37.62 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.022 0.439 . . . . 1.0 110.726 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.6 m -61.43 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.11 -44.64 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.951 -0.699 . . . . 1.0 110.842 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -61.73 -42.1 98.52 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.282 -0.567 . . . . 1.0 110.694 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.533 ' CG ' HH12 ' A' ' 995' ' ' ARG . 40.9 m-20 -61.69 -42.46 98.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.142 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -66.01 -39.48 90.29 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.991 0.424 . . . . 1.0 110.718 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.55 -41.71 97.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.335 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 59.22 29.39 18.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.762 0.315 . . . . 1.0 110.533 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.547 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.594 -1.403 . . . . 1.0 109.594 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.47 143.09 56.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.8 mt -110.35 131.1 55.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.344 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.03 125.69 54.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -117.31 136.13 53.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -64.42 -39.54 94.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.676 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 964' ' ' ILE . . . -67.78 140.94 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.447 ' O ' ' CG1' ' A' ' 964' ' ' ILE . 1.1 tt 31.36 68.4 0.8 Allowed Pre-proline 0 CA--C 1.534 0.34 0 O-C-N 123.701 0.626 . . . . 1.0 111.194 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -60.73 143.62 99.42 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.412 2.075 . . . . 1.0 112.438 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt -66.7 -25.5 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.535 ' O ' HG23 ' A' ' 971' ' ' VAL . 99.0 m95 -57.27 -38.97 74.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.591 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.73 -41.66 97.93 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.111 -0.636 . . . . 1.0 110.722 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 973' ' ' VAL . 55.3 t -64.21 -44.34 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.058 0.456 . . . . 1.0 110.109 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.4 -42.04 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.232 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 967' ' ' TRP . 66.3 t -61.91 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.421 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.66 98.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 969' ' ' VAL . 55.5 t -63.32 -44.74 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 1.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.27 -43.24 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.293 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -64.12 -34.9 91.16 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.47 -1.052 . . . . 1.0 110.47 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.03 88.74 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.97 -42.03 98.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 978' ' ' LEU . 4.1 mm? -62.49 -40.17 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.266 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.526 HD21 HD13 ' B' ' 705' ' ' LEU . 40.9 tp -60.95 -44.52 97.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.031 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.0 tp -63.81 -42.15 97.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.0 110.127 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.3 m -62.86 -45.07 94.27 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.825 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.35 -43.54 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.11 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.38 -0.528 . . . . 1.0 109.963 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 980' ' ' LEU . 74.7 t -64.47 -44.04 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.886 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.01 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.358 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.94 97.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.768 ' O ' HG22 ' A' ' 990' ' ' VAL . 94.8 mtp -65.62 -40.45 92.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 1.0 110.7 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.2 t90 -63.35 -38.66 92.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.088 0.47 . . . . 1.0 111.124 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -13.09 61.18 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 987' ' ' MET . 31.0 m -93.68 -3.11 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 119.723 -0.791 . . . . 1.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 84.16 10.2 80.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.363 -0.695 . . . . 1.0 111.363 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 992' ' ' PHE . 3.3 t80 -61.43 -43.1 99.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.718 0.294 . . . . 1.0 111.64 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -88.0 -2.6 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.332 -0.547 . . . . 1.0 111.286 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -90.37 123.85 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.2 -0.666 . . . . 1.0 109.2 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.541 ' NH2' HG23 ' B' ' 719' ' ' ILE . 62.9 ttm-85 -140.89 144.67 35.37 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -84.43 111.09 19.15 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.486 -0.886 . . . . 1.0 109.758 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.75 160.62 25.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.437 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--N 1.308 -1.562 0 C-N-CA 122.753 2.302 . . . . 1.0 112.232 -179.807 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 N--CA 1.483 0.886 0 N-CA-C 109.539 -0.985 . . . . 1.0 109.539 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.78 -8.99 39.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.765 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . 0.493 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 0.0 OUTLIER -54.49 -47.39 97.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.27 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' B' ' 687' ' ' SER . 50.9 Cg_exo -53.74 -37.92 84.56 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.363 2.042 . . . . 1.0 112.101 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.08 133.57 50.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.618 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 43.09 69.62 0.62 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -53.84 -38.85 85.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.748 2.299 . . . . 1.0 112.308 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -70.17 140.85 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.337 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 693' ' ' ILE . 11.0 tp -64.7 -25.95 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.618 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.13 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.532 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.75 -44.42 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.461 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.76 -44.86 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.736 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.06 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.485 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.26 -41.72 99.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 1.0 110.429 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.3 m -60.27 -42.01 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.589 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.13 -46.25 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.77 -40.82 97.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.56 -41.05 99.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.628 -0.589 . . . . 1.0 111.628 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.024 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 979' ' ' LEU . 51.0 tp -60.88 -42.43 97.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.59 -43.65 98.28 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.401 -0.52 . . . . 1.0 109.978 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.17 -43.57 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.282 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.52 -45.23 96.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.5 -1.04 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 1.0 110.506 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.86 97.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.489 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.25 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.104 -0.639 . . . . 1.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.625 HD22 ' SD ' ' A' ' 987' ' ' MET . 95.7 mt -63.32 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.423 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.31 -42.79 99.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.669 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.32 -43.96 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.15 -42.13 94.23 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -42.04 97.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.56 -42.71 99.72 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.805 0.812 . . . . 1.0 110.626 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.541 HG23 ' NH2' ' A' ' 995' ' ' ARG . 71.5 mt -67.76 -42.5 86.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.937 178.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -62.26 -44.17 97.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.345 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.46 -42.02 86.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.684 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -67.7 -38.35 83.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.05 -0.66 . . . . 1.0 110.975 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.86 -39.51 90.81 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.047 -0.661 . . . . 1.0 109.598 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.179 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.92 -44.76 95.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.575 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.47 138.85 58.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.898 -1.048 . . . . 1.0 110.563 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.481 ' C ' HD22 ' A' ' 959' ' ' LEU . . . -67.05 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 1.0 110.572 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . 0.481 HD22 ' C ' ' A' ' 958' ' ' ALA . 4.1 mm? -105.0 130.78 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -134.05 146.19 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -90.59 -77.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.649 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -131.1 146.05 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.76 31.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.426 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 964' ' ' ILE . 3.0 tp -170.16 64.46 0.48 Allowed Pre-proline 0 CA--C 1.534 0.331 0 CA-C-O 121.186 0.517 . . . . 1.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -80.13 -0.29 10.56 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.48 2.787 . . . . 1.0 112.471 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.03 -42.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.672 -0.695 . . . . 1.0 112.486 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -56.65 -38.92 72.85 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.646 -0.422 . . . . 1.0 111.776 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.472 ' CD1' HD12 ' B' ' 693' ' ' ILE . 96.4 m95 -60.79 -39.05 87.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 973' ' ' VAL . 53.1 t -63.07 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 1.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.72 -40.68 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -45.67 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.415 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.56 96.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.491 -1.043 . . . . 1.0 110.491 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.5 t -63.36 -44.11 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 1.0 110.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.82 -43.14 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.708 -0.479 . . . . 1.0 109.708 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.38 -32.78 85.31 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.522 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -61.61 -34.89 90.11 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.324 -0.71 . . . . 1.0 111.324 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.96 -40.62 96.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.112 0.482 . . . . 1.0 109.775 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.8 -40.97 97.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.618 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.39 -43.98 97.95 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.14 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 984' ' ' VAL . 52.4 tp -64.3 -42.43 96.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.138 0.494 . . . . 1.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.32 -44.95 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.548 -0.751 . . . . 1.0 111.503 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.1 -44.0 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.865 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.22 99.42 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.229 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 980' ' ' LEU . 68.4 t -64.31 -44.03 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.82 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.87 -42.63 99.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.16 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.26 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.429 -0.509 . . . . 1.0 111.332 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.18 -41.05 90.82 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.476 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -63.07 -38.55 91.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.43 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -11.53 46.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.92 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -88.93 -18.31 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 120.413 -0.515 . . . . 1.0 109.655 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.98 5.93 89.34 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.62 -42.35 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.637 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.456 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.3 m-85 -88.89 -4.17 58.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.9 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -90.74 124.88 35.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.544 HH22 ' CG ' ' B' ' 723' ' ' ASP . 42.5 ttm180 -140.75 146.05 37.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -84.47 111.31 19.37 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.399 -0.92 . . . . 1.0 109.802 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -92.26 149.98 39.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.293 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.314 -1.26 0 C-N-CA 122.292 1.995 . . . . 1.0 112.081 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo . . . . . 0 N--CA 1.484 0.956 0 N-CA-C 109.571 -0.973 . . . . 1.0 109.571 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -113.86 125.91 54.59 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 46.3 t -170.4 51.91 0.18 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' B' ' 687' ' ' SER . 36.9 Cg_endo -64.68 146.89 89.54 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.894 2.396 . . . . 1.0 112.221 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' B' ' 692' ' ' ASP . 88.8 tttt -62.36 -44.76 95.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.618 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 61.97 -177.94 5.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.71 -40.67 78.91 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.602 2.201 . . . . 1.0 112.512 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.489 ' O ' HG23 ' B' ' 696' ' ' VAL . 99.2 m-20 55.37 33.21 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.793 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 968' ' ' TRP . 31.3 mm -63.91 -43.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.747 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.51 ' N ' HD12 ' B' ' 694' ' ' LEU . 11.0 mp -62.48 -42.31 99.4 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.523 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.1 -44.49 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.13 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 692' ' ' ASP . 69.8 t -62.72 -44.82 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.21 -42.95 99.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.171 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.57 -43.29 99.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -61.03 -41.7 97.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.164 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.49 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.93 -40.96 99.22 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.835 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.67 96.55 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.34 -0.704 . . . . 1.0 111.34 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.296 0.57 . . . . 1.0 110.656 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.522 HD13 ' HA3' ' A' ' 976' ' ' GLY . 78.4 mt -65.59 -43.49 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.912 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.169 -0.612 . . . . 1.0 109.971 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.23 -43.02 92.78 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 119.968 -0.693 . . . . 1.0 110.94 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.57 -43.27 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.009 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.79 -41.44 98.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.339 -1.104 . . . . 1.0 110.339 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.89 -41.59 97.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 1.0 110.168 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.7 92.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.469 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.96 96.24 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.405 -0.518 . . . . 1.0 109.985 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.15 -41.52 99.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.056 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.585 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.13 -43.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 1.0 110.208 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.456 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.49 -43.8 96.63 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.81 99.52 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.718 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.19 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.436 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.0 -43.66 98.18 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.403 0.52 . . . . 1.0 112.403 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.58 -38.48 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.612 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 84.8 m -62.17 -44.41 96.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.979 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.84 -43.95 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.041 -0.264 . . . . 1.0 111.089 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -64.98 -40.7 95.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.624 -0.431 . . . . 1.0 110.368 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.544 ' CG ' HH22 ' A' ' 995' ' ' ARG . 54.0 m-20 -64.97 -40.43 94.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.118 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -61.87 -42.9 99.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.145 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.51 -44.11 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.707 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.7 137.79 57.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.544 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.462 ' CD2' ' O ' ' B' ' 727' ' ' PHE . 55.5 p90 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.673 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.419 -1.472 . . . . 1.0 109.419 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -150.65 152.02 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.663 0.268 . . . . 1.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 962' ' ' ARG . 90.2 mt -110.38 131.11 55.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.12 -36.68 83.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.797 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 961' ' ' GLU . 55.1 mp0 -64.65 -39.99 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.93 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 959' ' ' LEU . 84.8 mtt85 -102.05 136.83 41.21 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.602 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -150.62 152.55 34.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.699 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.474 ' HA ' HD11 ' B' ' 693' ' ' ILE . 1.2 pt -134.09 76.86 63.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -60.59 144.36 99.53 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.657 2.238 . . . . 1.0 112.685 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.7 tt -67.77 -24.46 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.055 -0.975 . . . . 1.0 111.534 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.413 ' O ' HG23 ' A' ' 971' ' ' VAL . 98.9 m95 -56.45 -37.98 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.581 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -59.58 -41.58 90.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.345 -0.542 . . . . 1.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 973' ' ' VAL . 53.7 t -64.71 -43.67 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.218 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.88 -41.89 98.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.421 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 967' ' ' TRP . 67.6 t -61.48 -45.38 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.7 95.12 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.3 t -63.13 -44.39 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.695 0.283 . . . . 1.0 110.569 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.1 -42.07 98.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 1.0 109.927 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.14 -28.04 70.0 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.544 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -61.17 -34.42 87.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 977' ' ' LEU . 11.1 mp -62.51 -40.85 98.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 109.904 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.24 -41.73 98.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.347 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 979' ' ' LEU . 7.2 tt -61.5 -44.29 97.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.941 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.8 tp -62.86 -41.26 99.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 1.0 110.188 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.6 m -61.46 -43.86 98.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 112.068 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.61 -44.67 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 C-N-CA 120.407 -0.517 . . . . 1.0 111.648 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.67 -40.89 97.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.817 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 980' ' ' LEU . 69.5 t -61.91 -44.65 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.846 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.53 -41.91 99.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.032 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.3 -41.3 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.62 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.47 -37.57 85.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.548 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.619 ' NE1' ' NZ ' ' A' ' 994' ' ' LYS . 11.7 t90 -57.76 -39.27 77.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.007 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -12.17 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 986' ' ' ALA . 97.8 t -90.55 -3.56 10.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.629 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.38 66.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.744 -0.542 . . . . 1.0 111.744 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 992' ' ' PHE . 4.0 t80 -61.02 -42.61 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 1.0 110.901 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -92.4 0.93 57.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.632 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . 0.619 ' NZ ' ' NE1' ' A' ' 988' ' ' TRP . 64.8 mttp -102.77 124.59 48.58 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.172 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.618 HH21 ' CG2' ' B' ' 719' ' ' ILE . 56.3 ttm-85 -141.07 143.78 34.56 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -84.85 111.41 19.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.608 -0.837 . . . . 1.0 110.026 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 160.59 31.73 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.44 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 C--N 1.309 -1.538 0 C-N-CA 122.463 2.109 . . . . 1.0 112.187 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.539 -0.985 . . . . 1.0 109.539 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -114.46 126.87 55.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.446 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 26.7 m 54.6 74.05 0.8 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.349 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.69 145.13 97.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.92 2.413 . . . . 1.0 111.908 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.86 133.95 50.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.252 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 174.17 72.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.53 -36.38 88.5 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.018 2.479 . . . . 1.0 111.817 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.501 ' O ' HG23 ' B' ' 696' ' ' VAL . 54.9 m-20 -63.12 -38.13 89.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.6 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 964' ' ' ILE . 31.5 mm -63.66 -44.0 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.657 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.461 HD12 ' N ' ' B' ' 694' ' ' LEU . 11.2 mp -64.01 -39.86 95.04 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.726 0.774 . . . . 1.0 109.856 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.26 -44.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.461 0.648 . . . . 1.0 109.799 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 692' ' ' ASP . 72.5 t -62.81 -43.89 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.228 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.25 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.752 0.31 . . . . 1.0 110.442 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.18 -42.05 99.31 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.616 -0.513 . . . . 1.0 109.616 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.9 m -61.46 -42.53 98.92 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.735 0.779 . . . . 1.0 109.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 696' ' ' VAL . 74.2 t -62.94 -43.74 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.821 . . . . 1.0 110.958 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.29 -40.61 97.83 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.902 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.45 Favored Glycine 0 CA--C 1.537 1.423 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.17 96.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.371 0.605 . . . . 1.0 109.826 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.544 HD13 ' HA3' ' A' ' 976' ' ' GLY . 92.9 mt -63.29 -43.38 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.486 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.289 -0.564 . . . . 1.0 110.735 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.47 -42.81 98.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 1.0 110.635 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.47 -43.93 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.331 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.97 98.4 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.53 -42.43 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.794 0.331 . . . . 1.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.362 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.0 97.14 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.548 -0.461 . . . . 1.0 110.599 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.66 -41.96 98.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.645 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.95 -41.9 99.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.519 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.17 -44.08 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.631 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -63.27 -41.79 99.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 1.0 108.965 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -41.32 94.74 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.275 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.8 -40.99 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.761 -0.375 . . . . 1.0 110.499 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.69 -42.29 99.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.031 0.443 . . . . 1.0 110.696 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.618 ' CG2' HH21 ' A' ' 995' ' ' ARG . 91.7 mt -65.0 -40.45 89.13 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 121.944 0.878 . . . . 1.0 109.33 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 85.9 m -61.02 -43.3 99.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 119.625 -0.83 . . . . 1.0 110.032 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 119.741 -0.784 . . . . 1.0 110.14 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -68.47 -39.27 81.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.657 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 68.5 t0 -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.99 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -62.02 -43.13 99.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.608 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.78 -42.4 99.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.94 -39.39 90.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.531 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.713 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.5 -1.44 . . . . 1.0 109.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.8 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 1.0 110.612 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.4 mt -109.98 130.7 55.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.48 136.11 56.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.513 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.02 138.35 55.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -62.52 -43.2 99.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -150.26 153.57 36.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.669 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.684 HD12 ' HE1' ' A' ' 967' ' ' TRP . 2.0 pt -117.41 75.14 8.67 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.17 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.46 -9.25 21.42 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.608 2.206 . . . . 1.0 112.373 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.8 pt -64.15 -23.13 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 112.201 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.684 ' HE1' HD12 ' A' ' 964' ' ' ILE . 87.0 m95 -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.213 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.502 ' CD1' HD11 ' B' ' 693' ' ' ILE . 98.9 m95 -60.71 -39.12 87.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 973' ' ' VAL . 73.2 t -63.6 -44.02 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.36 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.27 -41.41 98.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.196 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.18 -44.8 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.86 -36.62 93.64 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.631 -0.987 . . . . 1.0 110.631 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 969' ' ' VAL . 60.0 t -62.87 -44.65 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 1.0 110.165 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.69 -41.31 99.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 1.0 109.831 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.48 90.07 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.96 -40.92 99.11 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.82 -41.87 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.426 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.5 tp -64.89 -41.71 95.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 1.0 109.566 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 97.1 m -63.07 -44.7 95.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.136 -0.938 . . . . 1.0 111.909 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.55 -44.37 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.033 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.06 -40.38 97.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.468 0.652 . . . . 1.0 110.43 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 980' ' ' LEU . 57.8 t -68.09 -43.32 85.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 122.114 0.959 . . . . 1.0 110.976 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.42 -42.66 92.34 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.595 -0.729 . . . . 1.0 109.998 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.92 -42.95 94.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.926 -1.509 . . . . 1.0 111.504 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.27 -38.64 85.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.821 0.82 . . . . 1.0 110.797 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.492 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -62.41 -37.19 84.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.372 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -12.21 56.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.47 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.44 -19.22 7.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.149 0.5 . . . . 1.0 109.754 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.18 6.18 89.02 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.424 -1.071 . . . . 1.0 110.424 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.72 -42.52 99.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 57.4 m-85 -89.89 -3.04 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.408 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -97.41 123.65 41.32 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.08 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.541 HH22 ' CG ' ' B' ' 723' ' ' ASP . 95.4 mtt180 -141.0 153.97 45.8 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -85.36 111.51 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.84 160.71 25.08 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.626 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--N 1.308 -1.576 0 C-N-CA 122.652 2.235 . . . . 1.0 112.019 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.468 -1.012 . . . . 1.0 109.468 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -113.51 125.1 53.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.177 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 99.7 p 41.1 69.82 1.84 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.692 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.9 -38.17 85.9 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.94 2.427 . . . . 1.0 112.133 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.66 133.55 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.408 ' H ' ' HD3' ' B' ' 691' ' ' PRO . . . 149.68 69.06 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.408 ' HD3' ' H ' ' B' ' 690' ' ' GLY . 48.6 Cg_exo -54.16 -38.24 87.71 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.739 2.293 . . . . 1.0 112.18 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -69.22 141.78 54.39 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.456 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 968' ' ' TRP . 20.5 tt -65.72 -26.24 38.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.479 ' O ' HD13 ' B' ' 698' ' ' LEU . 54.9 tp -62.02 -43.47 98.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.044 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.68 -43.6 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.19 0.519 . . . . 1.0 109.658 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.33 -43.53 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.809 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.28 97.61 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.803 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.479 HD13 ' O ' ' B' ' 694' ' ' LEU . 8.4 mp -64.1 -41.91 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.312 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 68.3 m -60.81 -45.27 95.1 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.37 -37.45 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.77 -41.03 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.66 97.78 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.568 -1.013 . . . . 1.0 110.568 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.828 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.16 -43.67 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.136 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.91 -41.8 99.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.028 0.442 . . . . 1.0 109.847 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.997 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.06 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.945 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.61 -40.31 98.98 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.165 -1.174 . . . . 1.0 110.165 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.17 -42.09 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 1.0 110.481 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.75 90.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.475 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.1 96.29 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 119.956 -0.698 . . . . 1.0 110.197 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.157 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.69 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.55 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.43 -43.96 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-O 121.304 0.573 . . . . 1.0 110.07 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 1.8 t90 -60.8 -42.44 97.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.91 91.53 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.907 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.13 -40.68 98.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.542 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.94 -43.72 97.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.317 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.7 m -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.43 -43.35 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.029 0.442 . . . . 1.0 110.507 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -64.44 -38.36 90.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.879 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.541 ' CG ' HH22 ' A' ' 995' ' ' ARG . 47.0 m-20 -64.39 -37.59 88.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.778 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.09 -39.08 92.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 1.0 111.507 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.04 -40.17 96.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.388 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 59.16 30.72 20.55 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.395 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' B' ' 727' ' ' PHE . 89.5 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.24 143.24 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 1.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.07 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.51 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.03 -38.52 88.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.632 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.69 137.84 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.721 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -68.8 136.7 53.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.484 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -64.98 143.17 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.143 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 967' ' ' TRP . 7.8 pt -128.81 76.26 79.14 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.798 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.611 ' HB3' HD12 ' B' ' 693' ' ' ILE . 43.3 Cg_endo -76.22 -4.2 14.79 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.865 2.376 . . . . 1.0 112.214 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.85 -42.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.951 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.453 ' O ' HG23 ' A' ' 971' ' ' VAL . 95.3 m95 -57.33 -39.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.564 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -61.45 -40.74 95.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.905 -0.718 . . . . 1.0 110.425 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.523 HG13 HG21 ' B' ' 700' ' ' VAL . 53.2 t -64.43 -43.8 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.49 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.46 -41.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.55 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 967' ' ' TRP . 64.9 t -61.59 -45.55 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.678 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.28 98.9 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.87 -44.79 99.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 1.0 110.457 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.0 -41.13 99.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 1.0 109.968 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.89 -23.44 63.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.93 91.37 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.5 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.86 -40.83 98.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.582 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.69 -42.69 99.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.896 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.5 tp -63.91 -42.05 97.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.482 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 16.0 m -62.85 -41.73 99.47 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.397 -0.819 . . . . 1.0 111.67 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.0 -44.78 99.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 119.56 -0.856 . . . . 1.0 110.898 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -41.72 96.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.48 . . . . 1.0 110.223 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 980' ' ' LEU . 77.7 t -62.2 -43.35 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 115.494 -0.775 . . . . 1.0 111.019 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.65 -43.16 97.92 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.629 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.26 96.23 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.434 -0.507 . . . . 1.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 74.9 mtm -65.69 -40.4 92.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 111.284 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.0 t90 -60.1 -37.89 81.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.349 0.595 . . . . 1.0 110.028 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -36.02 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.427 -0.806 . . . . 1.0 111.567 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 992' ' ' PHE . 10.2 m -89.59 -15.04 8.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.823 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 75.98 7.73 84.31 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.515 ' H ' HG23 ' A' ' 990' ' ' VAL . 3.7 t80 -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.981 -0.288 . . . . 1.0 110.845 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 32.8 m-85 -97.41 -4.17 38.8 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.764 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.1 mttt -134.19 144.89 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 1.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 95.9 mtt180 -136.68 153.14 50.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.667 -0.813 . . . . 1.0 109.761 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -96.3 156.59 36.74 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.491 -0.777 . . . . 1.0 110.24 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo . . . . . 0 C--N 1.31 -1.472 0 C-N-CA 122.324 2.016 . . . . 1.0 112.035 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo . . . . . 0 N--CA 1.484 0.967 0 N-CA-C 109.59 -0.965 . . . . 1.0 109.59 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -113.68 125.37 54.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.949 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . 0.496 ' N ' ' CD ' ' B' ' 688' ' ' PRO . 0.3 OUTLIER 176.96 -46.94 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.034 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 687' ' ' SER . 50.7 Cg_exo -54.08 -37.82 87.0 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 1.0 112.208 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.32 145.68 35.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -74.07 176.5 46.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.15 152.05 67.12 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.022 2.481 . . . . 1.0 112.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.12 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.201 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 965' ' ' PRO . 19.6 tt -66.05 -39.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.031 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.447 ' N ' HG23 ' B' ' 693' ' ' ILE . 88.1 mt -62.22 -41.82 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.139 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.87 -45.09 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.505 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.89 -42.39 99.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.182 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.23 -43.09 99.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.816 -0.438 . . . . 1.0 109.816 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.2 m -60.85 -41.79 96.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.193 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.523 HG21 HG13 ' A' ' 969' ' ' VAL . 49.9 t -62.73 -44.77 99.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.35 -41.41 98.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.604 -0.439 . . . . 1.0 110.949 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.69 96.66 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.737 -0.744 . . . . 1.0 111.323 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.39 93.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 1.0 111.276 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.62 -44.09 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.519 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.13 -41.68 99.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.224 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.412 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.52 -43.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.948 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.18 99.15 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.6 tp -62.83 -41.55 99.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.856 0.36 . . . . 1.0 110.766 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.98 84.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.835 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.62 97.9 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.554 -0.458 . . . . 1.0 110.183 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.66 -39.99 95.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.49 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.3 -42.7 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.287 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.43 -43.62 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.61 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 1.0 109.369 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -41.43 97.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.134 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -42.95 98.97 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.99 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.09 -44.02 96.88 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.1 tt -68.49 -38.56 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.417 -0.513 . . . . 1.0 110.67 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.0 m -61.58 -44.13 97.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.944 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.04 -43.57 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.799 -0.361 . . . . 1.0 111.173 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -65.24 -39.4 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.677 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.408 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 70.1 m-20 -63.83 -42.68 97.57 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.779 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.89 -39.44 94.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 28.3 tttt 48.48 35.09 5.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.435 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -66.46 140.0 58.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.814 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.612 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.612 -1.395 . . . . 1.0 109.612 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.15 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.722 0.296 . . . . 1.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.83 -42.07 99.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.547 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.7 136.63 54.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.468 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.28 135.74 53.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.223 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.31 -40.52 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.459 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -69.77 143.54 52.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.701 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.591 ' N ' ' CD ' ' A' ' 965' ' ' PRO . 7.9 pt -145.29 39.91 0.26 Allowed Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.251 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 964' ' ' ILE . 37.6 Cg_endo -66.1 -21.64 55.64 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.415 2.077 . . . . 1.0 112.632 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.64 -43.45 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.419 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.95 -41.86 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.842 -0.343 . . . . 1.0 111.039 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.64 -40.83 98.25 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 1.0 110.631 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.21 -44.12 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.816 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.97 -41.2 97.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.523 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 68.7 t -61.9 -44.91 99.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -41.32 99.72 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.181 -0.768 . . . . 1.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.81 -44.14 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.953 -0.299 . . . . 1.0 110.44 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.93 -42.68 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.468 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.97 -40.7 99.63 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.598 ' C ' HG21 ' B' ' 704' ' ' ILE . . . -63.97 -39.89 97.73 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.16 -40.44 97.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.035 0.445 . . . . 1.0 110.217 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -41.73 97.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.294 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.704 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.9 tt -61.47 -44.61 96.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.354 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 984' ' ' VAL . 53.9 tp -63.44 -42.8 98.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.531 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.77 -45.25 93.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.624 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 1.0 111.197 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.95 -43.4 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 1.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 980' ' ' LEU . 71.5 t -64.45 -44.23 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.272 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -61.7 -44.69 96.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.719 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.3 mtt -64.87 -41.05 95.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.989 0.423 . . . . 1.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.449 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 10.7 t90 -62.37 -40.6 96.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.267 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -11.74 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.037 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.7 t -89.09 -16.71 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 1.0 110.163 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.55 11.58 81.65 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.069 -1.212 . . . . 1.0 110.069 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.54 -42.49 98.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.287 -0.456 . . . . 1.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 59.9 m-85 -98.64 -0.93 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.039 0.385 . . . . 1.0 112.039 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -112.13 129.82 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 1.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.587 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.6 mtt180 -134.08 153.22 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.813 -0.81 . . . . 1.0 108.813 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -84.55 111.43 19.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.717 -0.793 . . . . 1.0 109.637 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.31 160.85 25.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.449 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.309 -1.518 0 C-N-CA 122.564 2.176 . . . . 1.0 112.08 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 N--CA 1.485 0.973 0 N-CA-C 109.491 -1.004 . . . . 1.0 109.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.85 -39.1 90.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.712 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 4.9 t 41.1 57.93 8.67 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.941 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.67 -20.12 53.26 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.638 2.225 . . . . 1.0 112.176 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.05 133.57 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.681 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' B' ' 691' ' ' PRO . . . 172.97 -49.29 0.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' B' ' 690' ' ' GLY . 21.2 Cg_exo -61.95 146.85 96.14 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.866 2.377 . . . . 1.0 112.015 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.4 ' O ' HG22 ' B' ' 695' ' ' VAL . 98.6 m-20 59.3 38.78 23.07 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.796 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 10.9 tp -66.6 -26.02 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.383 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.32 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.895 0.331 . . . . 1.0 111.895 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' B' ' 696' ' ' VAL . 1.9 m -64.2 -40.85 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.201 -0.6 . . . . 1.0 110.161 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.435 ' N ' ' CG2' ' B' ' 695' ' ' VAL . 68.3 t -62.97 -44.49 99.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.02 -42.99 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.057 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.0 -42.09 99.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.905 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 57.6 m -60.2 -41.37 92.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.899 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.46 -46.57 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.691 -0.404 . . . . 1.0 110.564 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.68 -41.1 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.542 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.47 -39.5 96.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.498 -0.641 . . . . 1.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.02 99.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.986 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.598 HG21 ' C ' ' A' ' 976' ' ' GLY . 33.1 mm -64.12 -43.27 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 1.0 110.172 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.68 -42.09 98.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.346 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.28 -41.86 98.85 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.644 -0.502 . . . . 1.0 109.644 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.69 -43.43 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.0 109.837 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.24 99.32 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.353 -1.099 . . . . 1.0 110.353 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.92 -42.47 99.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 1.0 110.314 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.98 93.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.083 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.85 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.309 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.3 -42.85 99.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.52 -43.72 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.943 0.401 . . . . 1.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.89 -43.07 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 1.0 109.53 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.81 97.28 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.905 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.98 -42.71 99.91 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.294 -0.563 . . . . 1.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.7 -45.16 94.04 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.3 tt -68.83 -38.36 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 119.781 -0.768 . . . . 1.0 110.279 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.0 m -58.41 -41.93 86.04 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.904 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.99 -41.86 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.732 0.777 . . . . 1.0 110.029 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -70.73 -34.81 72.27 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.32 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.587 ' CG ' HH12 ' A' ' 995' ' ' ARG . 67.5 t0 -65.74 -42.18 91.27 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.751 -1.113 . . . . 1.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -65.81 -40.29 91.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.388 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.45 17.46 20.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.699 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.37 -38.87 92.82 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.883 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' B' ' 727' ' ' PHE . 89.0 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.835 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.448 0 N-CA-C 109.721 -1.351 . . . . 1.0 109.721 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.24 90.4 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 1.0 109.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 960' ' ' GLU . 90.3 mt -111.35 130.99 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.631 . . . . 1.0 109.716 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 959' ' ' LEU . 80.8 tt0 56.5 109.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 1.0 110.161 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.73 138.33 58.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.538 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.803 HH22 HD11 ' A' ' 966' ' ' ILE . 71.8 ttt180 -61.84 -43.05 99.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.261 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 962' ' ' ARG . . . 57.95 155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.471 ' HA ' HD12 ' B' ' 693' ' ' ILE . 12.4 mt 60.57 68.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.926 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.66 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.572 2.181 . . . . 1.0 112.967 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.803 HD11 HH22 ' A' ' 962' ' ' ARG . 96.5 mt -67.72 -20.56 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.661 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.15 -36.73 71.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 1.0 111.492 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.726 ' CD1' HD11 ' B' ' 693' ' ' ILE . 97.0 m95 -57.9 -40.75 81.08 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.746 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 973' ' ' VAL . 55.4 t -66.08 -42.95 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.953 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.82 -42.74 99.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 1.0 112.331 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.5 -41.49 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.928 -0.709 . . . . 1.0 110.238 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.22 95.66 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.136 -1.186 . . . . 1.0 110.136 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 969' ' ' VAL . 67.6 t -63.44 -44.45 98.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 1.0 110.5 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.58 -41.54 99.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.35 -38.35 95.56 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.95 95.71 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.214 -1.154 . . . . 1.0 110.214 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.87 -42.43 99.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 1.0 110.345 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.73 -40.36 96.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.621 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.727 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.5 tt -60.74 -45.38 94.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.465 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 984' ' ' VAL . 56.2 tp -63.95 -42.31 97.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.113 0.482 . . . . 1.0 110.104 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 81.6 m -62.46 -44.48 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.443 -0.798 . . . . 1.0 112.227 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.94 -44.12 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.714 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.3 -42.03 99.01 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.149 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 980' ' ' LEU . 74.8 t -64.3 -44.36 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.189 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.403 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -65.25 -42.4 93.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.146 -0.622 . . . . 1.0 110.472 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.04 -40.83 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.779 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 11.6 t90 -61.77 -41.19 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.414 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -13.87 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.053 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.3 t -90.61 -17.49 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.363 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 8.31 77.69 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.76 -42.46 99.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 1.0 110.54 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.434 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 41.8 m-85 -88.09 -2.55 58.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.401 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.42 129.1 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.737 -0.468 . . . . 1.0 109.737 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.551 HH12 ' CG ' ' B' ' 723' ' ' ASP . 59.5 ttt85 -140.08 145.42 37.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -83.62 111.96 19.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.405 -0.918 . . . . 1.0 109.999 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.35 156.7 41.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 1.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.492 1.395 0 C-N-CA 122.356 2.037 . . . . 1.0 112.11 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.483 0.855 0 N-CA-C 109.641 -0.946 . . . . 1.0 109.641 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.92 -38.92 89.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 30.1 t 50.99 73.79 0.92 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.83 -37.78 85.19 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.92 2.413 . . . . 1.0 112.204 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 690' ' ' GLY . 98.9 mttt -62.8 -41.33 99.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' B' ' 689' ' ' LYS . . . -55.02 -163.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.12 144.77 99.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.75 2.3 . . . . 1.0 111.941 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.43 ' O ' HG23 ' B' ' 696' ' ' VAL . 94.4 m-20 -92.14 -1.22 57.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.168 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.726 HD11 ' CD1' ' A' ' 968' ' ' TRP . 20.7 tt -65.97 -40.9 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.886 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.48 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.0 mt -62.53 -42.19 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.732 -0.387 . . . . 1.0 110.176 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.79 -44.36 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 692' ' ' ASP . 69.8 t -62.85 -44.44 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.95 -43.24 99.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.858 0.361 . . . . 1.0 110.472 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.88 -41.5 97.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.066 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.8 m -60.33 -44.53 95.42 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.249 0.463 . . . . 1.0 112.249 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -65.36 -41.55 91.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 120.029 -0.668 . . . . 1.0 110.727 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.74 -40.85 97.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.53 99.28 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.54 -0.624 . . . . 1.0 111.54 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.62 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.955 0.407 . . . . 1.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.98 -43.34 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.16 -41.84 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.185 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.62 -43.71 98.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.973 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.93 -43.96 98.71 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.383 -1.087 . . . . 1.0 110.383 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.91 -41.89 97.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.093 0.473 . . . . 1.0 110.849 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.7 94.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.908 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.44 97.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 1.0 110.453 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.6 tt -64.08 -41.62 97.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.505 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.83 -45.32 94.33 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 121.956 0.884 . . . . 1.0 109.792 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.176 -1.41 . . . . 1.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.434 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -60.54 -42.64 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.28 92.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.146 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.87 -39.87 95.75 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.567 -0.453 . . . . 1.0 111.031 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.88 -42.47 99.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.977 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.68 -43.64 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 121.295 0.569 . . . . 1.0 110.388 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 11.9 m -61.74 -42.61 99.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 122.686 1.231 . . . . 1.0 110.782 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.2 -44.02 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 118.511 -1.276 . . . . 1.0 111.253 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . 0.44 ' O ' ' OE1' ' B' ' 726' ' ' GLU . 68.2 m80 -65.55 -40.86 93.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 119.98 -0.688 . . . . 1.0 109.815 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH12 ' A' ' 995' ' ' ARG . 42.4 m-20 -65.47 -38.15 88.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.114 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.54 -43.48 98.71 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.458 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -42.61 99.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.442 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 722' ' ' HIS . 57.3 mp0 -112.88 124.62 53.03 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.879 0.371 . . . . 1.0 110.409 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.259 -0.877 . . . . 1.0 110.239 179.827 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 958' ' ' ALA . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.728 -1.349 . . . . 1.0 109.728 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 957' ' ' GLY . . . 37.91 95.82 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.878 0.37 . . . . 1.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.95 -41.91 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.532 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -111.21 121.89 46.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.146 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.07 -41.79 90.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.886 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -146.9 150.07 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.966 0.412 . . . . 1.0 111.198 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -70.05 144.61 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.478 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.554 HD12 HD12 ' A' ' 966' ' ' ILE . 0.5 OUTLIER -136.43 157.41 75.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.121 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.68 -12.12 34.43 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 122.564 2.176 . . . . 1.0 112.278 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.554 HD12 HD12 ' A' ' 964' ' ' ILE . 92.8 mt -62.1 -41.7 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.282 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.568 ' O ' HG23 ' A' ' 971' ' ' VAL . 94.0 m95 -60.88 -38.56 86.06 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 122.056 0.931 . . . . 1.0 111.217 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.08 -46.29 81.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 120.0 -0.68 . . . . 1.0 112.565 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.36 -37.71 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 119.675 -0.81 . . . . 1.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.863 0.363 . . . . 1.0 110.349 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 967' ' ' TRP . 67.9 t -62.14 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.691 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.26 97.31 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.3 -44.31 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.991 0.424 . . . . 1.0 110.354 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.47 -42.15 99.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.143 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.06 -39.84 98.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.11 -40.37 99.11 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.413 -1.075 . . . . 1.0 110.413 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 1.0 110.033 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.08 -42.03 98.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 979' ' ' LEU . 2.7 tm? -61.27 -44.13 97.73 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.493 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.3 tp -63.13 -41.85 99.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.135 0.493 . . . . 1.0 110.262 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.3 m -61.58 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.608 -0.723 . . . . 1.0 111.961 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -44.62 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.404 -0.518 . . . . 1.0 111.732 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.53 -34.71 78.53 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.344 1.545 . . . . 1.0 110.577 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 980' ' ' LEU . 55.2 t -66.9 -44.43 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 119.026 -1.069 . . . . 1.0 110.777 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.77 -40.07 96.12 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 122.603 1.192 . . . . 1.0 109.569 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -64.0 -39.58 94.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 119.052 -1.059 . . . . 1.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.561 ' CE ' HD13 ' B' ' 712' ' ' LEU . 57.8 mtt -64.0 -40.84 97.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.492 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.98 -43.9 98.15 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -11.72 60.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.138 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 986' ' ' ALA . 36.8 t -90.31 -15.77 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.095 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 85.05 12.5 73.83 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.41 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 4.5 t80 -61.3 -42.26 98.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.969 -0.292 . . . . 1.0 110.625 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.443 ' CD1' ' CZ2' ' B' ' 715' ' ' TRP . 14.8 m-85 -87.97 -1.54 58.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.268 -0.573 . . . . 1.0 110.456 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.5 tttt -114.03 130.83 56.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.635 ' NH1' HG23 ' B' ' 719' ' ' ILE . 85.3 mtp180 -133.72 153.0 52.02 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -84.38 111.31 19.33 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.512 -0.875 . . . . 1.0 110.011 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.39 160.56 68.15 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--N 1.308 -1.565 0 C-N-CA 122.533 2.155 . . . . 1.0 112.111 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 109.542 -0.984 . . . . 1.0 109.542 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.95 -38.65 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.438 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 38.2 m 54.49 70.56 1.63 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -53.96 -37.81 86.14 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.959 2.439 . . . . 1.0 112.244 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -41.61 99.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.401 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 98.31 -164.96 21.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.43 145.44 98.08 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.826 2.351 . . . . 1.0 111.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -90.69 -2.21 57.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.248 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.441 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.4 tt -66.24 -39.52 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.502 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.441 ' N ' HG23 ' B' ' 693' ' ' ILE . 90.3 mt -62.07 -41.87 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.145 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.88 -44.62 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.33 -43.73 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.43 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.53 -43.83 98.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.449 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.1 -41.2 97.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.139 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 64.3 m -60.24 -44.53 95.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 1.0 112.061 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 17.2 m -65.71 -40.96 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 120.095 -0.642 . . . . 1.0 110.631 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.51 -40.78 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 1.0 110.402 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.93 -40.74 98.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.56 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.508 HG21 ' HA3' ' A' ' 976' ' ' GLY . 94.1 mt -63.74 -43.4 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.406 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.01 -42.9 99.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.197 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.04 -42.05 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.231 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.51 -43.73 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.977 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.23 99.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.494 -1.042 . . . . 1.0 110.494 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.19 -42.55 99.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.379 . . . . 1.0 110.223 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.87 81.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.572 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.27 85.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.301 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.561 HD13 ' CE ' ' A' ' 987' ' ' MET . 50.9 tp -62.2 -44.12 97.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.25 -41.66 99.1 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.798 -0.361 . . . . 1.0 111.085 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.15 -43.78 99.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.819 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 993' ' ' PHE . 2.0 t90 -59.51 -43.92 93.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.196 0.522 . . . . 1.0 109.665 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.33 98.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.117 0.484 . . . . 1.0 110.139 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.79 -39.76 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.143 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.67 -42.62 99.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.122 -0.631 . . . . 1.0 111.298 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.635 HG23 ' NH1' ' A' ' 995' ' ' ARG . 90.7 mt -63.97 -43.85 97.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 120.391 -0.524 . . . . 1.0 109.895 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -61.63 -44.97 95.99 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 120.886 0.374 . . . . 1.0 111.248 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.62 -45.04 99.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.234 -0.986 . . . . 1.0 110.747 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -66.26 -39.65 89.6 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.857 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.549 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.4 m-20 -64.76 -37.13 86.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 1.0 110.792 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 57.94 58.52 3.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.205 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.95 -42.24 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.468 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.92 138.7 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.965 -1.016 . . . . 1.0 110.44 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 963' ' ' ALA . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 109.294 -1.522 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.52 86.97 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.085 -0.709 . . . . 1.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 960' ' ' GLU . 89.3 mt -110.44 132.08 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.294 -0.866 . . . . 1.0 109.37 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 959' ' ' LEU . 97.3 mt-10 57.06 123.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.033 0.444 . . . . 1.0 110.773 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -65.39 -38.55 90.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.91 -43.19 99.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.164 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 957' ' ' GLY . . . -67.87 141.78 56.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.417 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 967' ' ' TRP . 16.6 pt -147.39 60.88 5.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.441 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.46 -12.46 34.9 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.882 2.388 . . . . 1.0 112.199 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.92 -22.67 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.609 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.637 ' O ' HG23 ' A' ' 971' ' ' VAL . 77.9 m95 -61.92 -38.39 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.158 -0.617 . . . . 1.0 111.536 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.475 ' O ' HD13 ' B' ' 697' ' ' LEU . 98.0 m95 -60.66 -47.61 85.5 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.216 0.45 . . . . 1.0 112.216 -178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.29 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.275 -0.57 . . . . 1.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.93 -42.32 99.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.296 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 967' ' ' TRP . 71.8 t -62.89 -44.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.986 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.04 97.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.681 -0.568 . . . . 1.0 111.681 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.24 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.569 -0.452 . . . . 1.0 110.726 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.61 -40.72 97.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.627 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.29 98.55 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.585 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.63 -39.6 97.74 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.334 -1.107 . . . . 1.0 110.334 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.25 -40.94 98.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.049 0.452 . . . . 1.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.12 -41.28 98.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.811 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.3 tp -64.14 -42.47 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.676 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 19.0 m -62.7 -47.48 83.42 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.794 0.664 . . . . 1.0 112.794 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 21.1 tt -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 120.275 -0.57 . . . . 1.0 111.147 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.02 -41.54 99.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 1.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 980' ' ' LEU . 64.5 t -62.08 -44.73 99.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.016 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.51 -42.03 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.96 -40.93 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.639 -0.425 . . . . 1.0 110.661 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.713 ' SD ' HD22 ' B' ' 712' ' ' LEU . 66.5 mtt -66.42 -38.16 86.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.908 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 10.8 t90 -58.21 -40.39 81.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 1.0 110.337 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -12.16 61.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 986' ' ' ALA . 58.8 t -91.26 -0.61 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.004 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 89.99 14.34 59.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.447 ' CD2' ' CE2' ' A' ' 993' ' ' PHE . 3.3 t80 -60.76 -43.01 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.639 0.257 . . . . 1.0 111.005 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.447 ' CE2' ' CD2' ' A' ' 992' ' ' PHE . 55.2 m-85 -97.5 -4.09 38.63 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.453 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 991' ' ' GLY . 99.0 mttt -131.53 139.56 49.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.474 . . . . 1.0 111.226 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.545 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 78.6 mtp85 -140.06 154.24 47.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.044 -0.724 . . . . 1.0 109.044 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -85.19 111.69 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.7 -0.8 . . . . 1.0 110.084 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -93.27 156.62 39.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.447 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 112.156 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.484 0.964 0 N-CA-C 109.579 -0.969 . . . . 1.0 109.579 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . 0.416 ' O ' ' OG ' ' B' ' 687' ' ' SER . 97.2 mt-10 -119.0 133.89 55.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 686' ' ' GLU . 2.8 p 50.08 73.79 0.92 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.59 145.57 97.59 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.835 2.356 . . . . 1.0 111.998 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -110.98 145.63 38.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 46.95 -170.75 0.04 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -61.79 144.98 97.46 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.892 2.395 . . . . 1.0 112.086 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.83 113.3 24.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.118 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 45.7 pt -67.05 -22.65 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.25 -43.48 97.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.816 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.11 -44.21 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.13 -45.14 99.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.851 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 968' ' ' TRP . 50.7 tp -61.97 -43.93 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.891 -0.324 . . . . 1.0 110.502 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.53 -43.35 97.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.8 m -60.84 -42.65 98.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.87 -46.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.911 -0.316 . . . . 1.0 110.888 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 96.9 mtp -63.26 -43.09 98.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.428 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.71 -42.45 93.21 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.832 -0.699 . . . . 1.0 111.669 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.42 92.88 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.68 -0.408 . . . . 1.0 111.26 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.585 HG21 ' HA3' ' A' ' 976' ' ' GLY . 97.0 mt -64.52 -43.7 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.827 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.934 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.12 -43.58 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.86 -0.336 . . . . 1.0 110.898 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.388 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -64.1 -46.87 90.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.74 -43.04 97.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 111.229 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.5 97.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.789 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.8 -42.39 95.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.48 -0.488 . . . . 1.0 110.871 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.713 HD22 ' SD ' ' A' ' 987' ' ' MET . 88.3 mt -63.82 -42.17 97.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.045 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.0 -42.73 99.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.571 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.48 -43.99 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.8 -0.36 . . . . 1.0 111.328 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -63.66 -46.02 87.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.395 0.617 . . . . 1.0 109.91 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.02 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 1.0 109.768 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.019 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.38 -42.79 99.69 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.116 -0.634 . . . . 1.0 110.042 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.36 -44.14 94.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.06 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.9 m -58.78 -43.33 90.39 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.184 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.74 -44.43 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.978 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -65.69 -39.72 91.58 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.755 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.545 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 91.8 m-20 -62.65 -42.02 99.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.69 -39.58 93.91 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -62.79 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.693 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.6 t80 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.503 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.583 -1.407 . . . . 1.0 109.583 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 51.47 46.55 26.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.675 0.274 . . . . 1.0 110.664 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.84 130.39 55.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.376 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.0 -38.98 89.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.28 138.02 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -75.15 145.45 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.438 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.19 35.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 964' ' ' ILE . 0.0 OUTLIER -94.34 156.08 39.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.164 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -66.76 -16.74 51.09 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.409 2.073 . . . . 1.0 112.257 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.84 -24.87 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.618 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -59.83 -39.2 84.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -61.16 -40.44 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.547 HG13 HG21 ' B' ' 700' ' ' VAL . 51.8 t -64.03 -44.24 97.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.48 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.11 -41.49 98.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.301 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.46 -45.1 99.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.479 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.24 99.78 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.189 -0.764 . . . . 1.0 111.189 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.517 HG23 HG11 ' B' ' 700' ' ' VAL . 49.4 t -63.55 -44.49 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.0 110.551 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.4 -41.21 98.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 1.0 110.674 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.67 93.57 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.479 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.06 -42.88 99.75 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.35 -40.32 96.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.987 0.422 . . . . 1.0 109.981 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.8 -41.83 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.25 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.6 tt -61.36 -45.06 95.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 1.0 110.225 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.8 tp -64.49 -41.68 96.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.616 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 87.5 m -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 1.0 112.68 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 44.0 pt -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.202 -0.599 . . . . 1.0 111.544 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.79 -41.5 99.29 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.01 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 980' ' ' LEU . 70.3 t -62.64 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.51 -41.96 99.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.182 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.2 -41.11 97.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.346 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 10.6 t90 -61.36 -40.7 95.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.248 0.546 . . . . 1.0 109.818 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -11.69 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.208 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.5 t -89.49 -16.02 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.89 0.376 . . . . 1.0 110.213 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.64 10.6 72.82 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.23 -42.73 99.11 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.549 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.469 ' CE1' ' CE2' ' B' ' 715' ' ' TRP . 67.5 m-85 -87.45 -2.69 58.79 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.747 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.64 141.43 28.49 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.291 -0.563 . . . . 1.0 109.869 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.531 ' NH2' ' OD1' ' B' ' 723' ' ' ASP . 18.3 mmm180 -134.76 152.7 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.628 -0.879 . . . . 1.0 108.628 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -84.73 111.48 19.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.513 -0.875 . . . . 1.0 109.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.06 160.56 60.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--N 1.309 -1.542 0 C-N-CA 122.516 2.144 . . . . 1.0 112.095 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 N--CA 1.484 0.921 0 N-CA-C 109.547 -0.982 . . . . 1.0 109.547 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.02 -38.92 89.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.463 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 10.9 t -176.16 73.43 0.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.58 145.39 97.77 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.921 2.414 . . . . 1.0 111.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -141.13 151.14 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.771 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.627 ' O ' HG22 ' B' ' 693' ' ' ILE . . . 171.18 71.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.64 -34.64 84.18 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.183 2.589 . . . . 1.0 112.606 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.83 -11.19 54.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.25 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.627 HG22 ' O ' ' B' ' 690' ' ' GLY . 20.3 tt -65.27 -39.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.432 ' N ' HG23 ' B' ' 693' ' ' ILE . 91.4 mt -63.19 -41.09 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.015 0.436 . . . . 1.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.72 -42.64 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.35 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.0 -44.53 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.75 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.65 -43.65 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.561 -0.456 . . . . 1.0 109.977 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.46 -41.46 98.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.881 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.9 m -60.42 -42.55 96.25 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.019 -0.273 . . . . 1.0 111.176 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.547 HG21 HG13 ' A' ' 969' ' ' VAL . 89.3 t -63.56 -45.33 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.933 0.397 . . . . 1.0 110.074 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -62.35 -40.12 95.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.803 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -39.89 98.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.439 -0.664 . . . . 1.0 111.439 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.3 96.65 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.091 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.479 HG21 ' HA3' ' A' ' 976' ' ' GLY . 47.8 mm -65.96 -43.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 1.0 111.063 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.404 ' CD2' HD13 ' A' ' 979' ' ' LEU . 88.0 mt -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.773 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.54 -42.62 99.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.096 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -43.59 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.7 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.12 92.8 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.741 -0.742 . . . . 1.0 111.335 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.31 -39.24 93.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.362 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.04 99.1 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.865 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.67 94.64 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.734 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.65 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.469 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.15 -44.02 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.266 0.555 . . . . 1.0 109.529 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -44.75 92.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.78 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 97.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.738 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.63 -45.31 93.43 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.84 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.5 tt -68.67 -37.43 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.754 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.4 m -60.66 -42.1 96.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.164 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . 0.453 ' CG2' ' NZ ' ' B' ' 725' ' ' LYS . 92.8 mt -62.68 -43.37 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.131 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -64.89 -37.69 88.49 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.686 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.531 ' OD1' ' NH2' ' A' ' 995' ' ' ARG . 68.1 m-20 -66.36 -37.75 86.02 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.258 -0.577 . . . . 1.0 109.665 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.45 -43.43 98.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.409 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . 0.453 ' NZ ' ' CG2' ' B' ' 721' ' ' ILE . 63.4 mttp -63.06 -42.11 99.62 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.672 -0.411 . . . . 1.0 110.72 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.47 -39.55 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.777 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.493 ' O ' ' CD2' ' B' ' 727' ' ' PHE . 89.1 t80 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 958' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.434 ' CB ' ' OE2' ' A' ' 961' ' ' GLU . . . 58.47 124.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 1.0 110.721 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 960' ' ' GLU . 40.3 tp -111.87 125.82 54.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.577 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 959' ' ' LEU . 97.3 mt-10 35.94 70.2 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.205 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.434 ' OE2' ' CB ' ' A' ' 958' ' ' ALA . 97.7 mt-10 -64.59 131.72 47.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.328 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -63.06 -43.12 99.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.135 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -97.63 152.11 19.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.665 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 2.5 mt 63.29 77.65 0.32 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.744 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -61.53 146.63 96.81 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.559 2.172 . . . . 1.0 111.993 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 45.3 pt -77.13 -15.07 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.099 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -58.96 -39.35 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.45 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.684 ' HB3' HD21 ' B' ' 697' ' ' LEU . 98.8 m95 -61.14 -39.16 89.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.481 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 973' ' ' VAL . 57.4 t -63.76 -43.94 98.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.381 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.75 -41.92 98.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.84 -44.99 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.431 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.05 94.15 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 969' ' ' VAL . 73.7 t -62.92 -44.7 99.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 1.0 110.453 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.64 -41.88 99.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.38 -39.61 97.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.746 -0.942 . . . . 1.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.528 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.2 -39.08 96.77 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.543 -1.023 . . . . 1.0 110.543 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.93 -40.51 97.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.981 0.419 . . . . 1.0 109.971 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.16 -41.51 98.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.707 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.5 tt -61.25 -44.39 97.33 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.341 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.53 -41.93 98.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.162 0.506 . . . . 1.0 110.323 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 76.0 m -61.94 -43.84 98.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.403 -0.817 . . . . 1.0 111.702 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.65 -43.66 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.841 -0.344 . . . . 1.0 111.663 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.62 -41.35 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.534 -0.466 . . . . 1.0 111.157 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.85 -47.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.707 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.71 -41.44 98.09 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.637 -0.425 . . . . 1.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -61.08 -44.71 96.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.371 -0.532 . . . . 1.0 110.65 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.79 -40.34 91.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.518 . . . . 1.0 110.122 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.44 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.0 t90 -62.81 -41.59 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.199 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -12.08 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.195 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.4 t -89.54 -18.24 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.84 11.21 81.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.84 -42.14 98.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.685 0.278 . . . . 1.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.52 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 68.7 m-85 -96.02 -0.51 50.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.895 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -111.13 129.89 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 1.0 110.466 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.57 HH12 ' CG ' ' B' ' 723' ' ' ASP . 94.3 mtt180 -133.55 152.64 51.93 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -84.98 111.2 19.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.566 -0.854 . . . . 1.0 109.858 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 160.91 61.56 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.304 -0.862 . . . . 1.0 110.454 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 C--N 1.309 -1.511 0 C-N-CA 122.614 2.209 . . . . 1.0 112.117 -179.761 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo . . . . . 0 N--CA 1.484 0.919 0 N-CA-C 109.44 -1.023 . . . . 1.0 109.44 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.19 -38.35 87.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.534 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 5.9 m -140.37 73.42 30.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.49 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.79 145.37 97.26 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.839 2.359 . . . . 1.0 111.94 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.9 144.78 50.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.58 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.33 -164.87 1.75 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.62 145.58 97.51 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.822 2.348 . . . . 1.0 112.008 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.87 144.06 54.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.491 HG23 HD22 ' B' ' 694' ' ' LEU . 21.3 tt -64.72 -24.39 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.929 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.491 HD22 HG23 ' B' ' 693' ' ' ILE . 4.3 mm? -61.91 -42.12 98.72 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -64.01 -44.05 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.727 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.41 -44.5 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.684 HD21 ' HB3' ' A' ' 968' ' ' TRP . 36.6 mt -62.15 -42.52 99.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.599 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.16 -42.66 96.65 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.46 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.0 m -61.51 -45.8 92.67 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.518 0.562 . . . . 1.0 112.518 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.252 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -63.24 -40.04 96.32 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.06 0.457 . . . . 1.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.86 -38.13 95.67 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 110.65 -0.98 . . . . 1.0 110.65 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.79 96.16 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.669 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.528 HG21 ' HA3' ' A' ' 976' ' ' GLY . 46.8 mm -61.79 -43.34 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.403 0.62 . . . . 1.0 110.471 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.417 HD21 HD13 ' A' ' 979' ' ' LEU . 91.3 mt -61.76 -39.84 93.05 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.542 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.23 -42.89 99.39 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.974 -0.69 . . . . 1.0 110.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.27 -42.31 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-O 122.187 0.994 . . . . 1.0 109.424 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.16 97.92 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.031 -1.628 . . . . 1.0 109.031 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.45 -42.67 98.65 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.083 0.468 . . . . 1.0 110.461 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.24 93.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.69 94.89 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.3 -42.75 99.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.888 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -41.73 99.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.629 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.52 -43.89 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.52 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 2.0 t90 -62.39 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.806 0.812 . . . . 1.0 108.935 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -39.93 91.66 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.364 -0.835 . . . . 1.0 109.697 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.14 -42.41 99.47 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.015 -0.674 . . . . 1.0 111.042 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.01 -45.15 94.87 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 120.965 0.412 . . . . 1.0 111.834 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 993' ' ' PHE . 20.7 tt -68.5 -35.95 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 120.121 -0.632 . . . . 1.0 110.604 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 17.0 m -60.43 -44.82 95.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.562 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.72 99.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 120.051 -0.66 . . . . 1.0 110.241 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -67.29 -39.17 85.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.655 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.57 ' CG ' HH12 ' A' ' 995' ' ' ARG . 66.1 t0 -61.81 -42.0 98.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.11 0.481 . . . . 1.0 110.569 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -61.65 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.19 -42.43 99.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.954 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.25 -38.99 89.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 1.0 110.497 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.917 -1.039 . . . . 1.0 110.466 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.23 143.17 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.63 -42.67 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.28 137.16 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -121.31 135.27 55.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.7 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.177 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.502 ' HB1' ' HD3' ' A' ' 965' ' ' PRO . . . -67.49 143.62 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 965' ' ' PRO . 4.5 pt -132.73 43.34 1.04 Allowed Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 964' ' ' ILE . 28.7 Cg_endo -62.38 -29.23 79.12 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.588 2.192 . . . . 1.0 112.444 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 967' ' ' TRP . 20.7 tt -68.57 -40.51 82.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.723 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.484 ' N ' HG23 ' A' ' 966' ' ' ILE . 89.6 m95 -58.07 -38.34 76.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.45 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -60.5 -37.99 82.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.819 -0.353 . . . . 1.0 111.007 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 973' ' ' VAL . 54.4 t -62.64 -45.29 99.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.679 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 970' ' ' LEU . 11.3 mp -62.65 -41.05 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.391 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.86 -45.47 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.207 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.91 -38.36 95.98 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.579 -1.008 . . . . 1.0 110.579 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.8 t -63.17 -44.49 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.755 0.312 . . . . 1.0 110.446 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.13 -42.87 99.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.28 -34.63 90.47 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.964 -1.254 . . . . 1.0 109.964 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.508 ' HA3' HD13 ' B' ' 704' ' ' ILE . . . -63.31 -37.21 94.5 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.41 -41.04 98.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.84 -40.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.265 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.03 -45.11 96.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.638 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.487 HD13 ' HA2' ' B' ' 708' ' ' GLY . 53.9 tp -64.53 -42.49 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.2 m -63.22 -45.54 91.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.67 -0.696 . . . . 1.0 111.178 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.36 -44.3 98.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 120.912 -0.315 . . . . 1.0 111.033 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.415 ' CD2' HD11 ' B' ' 712' ' ' LEU . 56.5 tp -63.04 -43.44 98.68 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.312 0.577 . . . . 1.0 110.457 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 980' ' ' LEU . 63.1 t -64.81 -41.01 91.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.184 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.02 -43.16 99.43 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.48 -0.888 . . . . 1.0 111.298 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.75 90.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.231 -0.588 . . . . 1.0 110.363 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.53 -41.22 93.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.806 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 13.0 t90 -60.8 -39.28 88.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.78 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -11.71 41.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.119 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -89.05 -20.29 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.381 -0.528 . . . . 1.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 79.64 2.07 87.58 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.01 -42.52 99.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 1.0 111.383 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -91.26 -3.56 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.394 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -111.37 125.67 54.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.903 0.383 . . . . 1.0 110.0 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.522 HH12 ' CG ' ' B' ' 723' ' ' ASP . 95.0 mtt180 -138.38 153.68 48.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -84.65 111.61 19.71 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.727 -0.789 . . . . 1.0 109.904 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -97.36 149.8 36.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.454 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 N--CA 1.488 1.164 0 C-N-CA 122.308 2.005 . . . . 1.0 112.3 179.849 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 N--CA 1.483 0.891 0 N-CA-C 109.58 -0.969 . . . . 1.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.92 -38.98 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 73.4 p 47.31 73.23 1.03 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.64 145.34 97.66 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.853 2.369 . . . . 1.0 111.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -64.3 -37.17 86.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 112.05 166.4 17.68 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.09 -0.804 . . . . 1.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.21 154.15 61.86 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.189 2.593 . . . . 1.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.1 144.14 55.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.242 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.75 -26.03 39.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.004 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.96 -41.04 97.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.059 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.88 -44.53 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.012 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.71 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.609 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -41.85 99.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.689 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.33 -42.19 98.94 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.091 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 59.2 m -60.8 -42.01 96.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.61 -45.33 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.824 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.97 -41.46 99.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.89 -41.02 98.89 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.332 -0.707 . . . . 1.0 111.332 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.624 0.25 . . . . 1.0 111.336 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.508 HD13 ' HA3' ' A' ' 976' ' ' GLY . 87.2 mt -63.42 -44.24 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.02 -41.64 99.59 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.65 -43.58 98.43 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.227 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.29 -43.98 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.202 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . 0.487 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -63.55 -42.51 98.85 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.492 -1.043 . . . . 1.0 110.492 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.7 -42.16 98.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.906 0.384 . . . . 1.0 110.702 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.45 93.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.115 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.43 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.258 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 983' ' ' LEU . 92.8 mt -63.72 -41.32 98.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.505 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.27 -42.44 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.26 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.22 -43.81 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.244 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -62.17 -45.13 94.78 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.689 0.757 . . . . 1.0 109.302 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -38.86 92.13 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.69 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.69 -41.57 97.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.42 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.06 -44.13 97.35 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.683 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.437 HG23 ' CZ ' ' A' ' 995' ' ' ARG . 96.2 mt -65.25 -41.82 92.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.306 0 CA-C-O 122.4 1.095 . . . . 1.0 110.797 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 35.8 m -60.81 -44.88 96.29 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.894 -1.048 . . . . 1.0 111.774 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . 0.41 HG13 ' N ' ' B' ' 722' ' ' HIS . 38.6 pt -63.88 -42.41 95.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.095 -1.042 . . . . 1.0 111.089 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . 0.41 ' N ' HG13 ' B' ' 721' ' ' ILE . 71.1 m80 -67.11 -38.25 85.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 119.464 -0.894 . . . . 1.0 111.097 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.522 ' CG ' HH12 ' A' ' 995' ' ' ARG . 54.2 m-20 -66.3 -37.8 86.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.005 0.431 . . . . 1.0 111.095 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 58.73 58.23 3.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.097 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.61 -42.2 99.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.694 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.9 146.7 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.484 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.715 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.605 -1.398 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.95 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.73 0.3 . . . . 1.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.38 130.25 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.363 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -66.17 137.23 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.18 -38.22 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.291 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.84 147.77 43.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.678 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -116.69 148.64 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 964' ' ' ILE . 16.0 mt -118.77 86.83 31.17 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.762 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.99 -20.68 61.61 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 123.079 2.519 . . . . 1.0 112.232 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.18 -24.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 112.18 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -58.31 -38.93 78.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.871 -0.731 . . . . 1.0 110.259 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -61.05 -38.74 87.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.02 0.438 . . . . 1.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 973' ' ' VAL . 59.6 t -64.69 -43.78 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.702 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.936 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.85 -41.21 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.406 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.0 -38.67 96.36 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.5 t -62.41 -45.29 99.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.722 0.296 . . . . 1.0 110.4 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.28 -42.6 99.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.297 -0.41 . . . . 1.0 109.962 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.52 76.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -60.2 -36.34 90.44 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 977' ' ' LEU . 11.3 mp -61.71 -38.65 88.65 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.134 0.493 . . . . 1.0 109.867 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.84 -39.13 90.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.81 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.405 HD21 HD21 ' B' ' 705' ' ' LEU . 31.3 tp -60.87 -45.91 92.69 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.174 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.521 HD13 ' HA2' ' B' ' 708' ' ' GLY . 54.0 tp -65.07 -41.7 94.82 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.927 -0.709 . . . . 1.0 109.854 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 17.9 m -61.57 -44.5 96.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.908 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.73 -43.73 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.471 -0.492 . . . . 1.0 110.982 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.329 -0.548 . . . . 1.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 980' ' ' LEU . 62.8 t -64.23 -44.12 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.866 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.16 -42.54 99.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.329 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.83 99.75 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.725 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.76 -41.29 92.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.0 0.428 . . . . 1.0 110.741 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.7 t90 -62.32 -39.8 94.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.445 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -11.79 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.069 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.28 -19.43 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.516 -0.474 . . . . 1.0 110.138 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 81.53 6.32 89.26 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.362 -1.095 . . . . 1.0 110.362 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -61.64 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.823 0.344 . . . . 1.0 110.746 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.429 ' CD1' ' CD1' ' B' ' 715' ' ' TRP . 74.2 m-85 -95.58 0.65 53.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.169 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -88.07 130.99 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.209 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.521 HH22 ' CG ' ' B' ' 723' ' ' ASP . 28.2 mmt85 -137.24 153.36 50.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -84.87 111.34 19.57 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.638 -0.825 . . . . 1.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.04 160.46 26.36 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.629 -0.714 . . . . 1.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.308 -1.572 0 C-N-CA 122.641 2.227 . . . . 1.0 112.05 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 109.646 -0.944 . . . . 1.0 109.646 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -134.48 146.69 49.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.5 175.15 2.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -53.82 -38.37 85.46 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.067 1.845 . . . . 1.0 112.079 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.09 145.01 50.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.54 ' O ' HG22 ' B' ' 693' ' ' ILE . . . -145.02 172.73 25.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.89 -18.33 52.4 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.023 2.482 . . . . 1.0 111.385 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.59 -37.51 81.58 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.524 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.54 HG22 ' O ' ' B' ' 690' ' ' GLY . 19.5 tt -66.02 -40.36 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 121.056 -0.258 . . . . 1.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.447 ' N ' HG23 ' B' ' 693' ' ' ILE . 91.3 mt -62.54 -42.15 99.35 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.98 -44.83 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.125 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.6 -44.44 98.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.482 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.043 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -40.57 96.67 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.592 0.71 . . . . 1.0 109.791 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 66.7 m -62.94 -39.87 95.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.223 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.95 -45.31 99.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.27 -40.7 98.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.612 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.78 -39.38 96.57 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.17 95.22 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.405 HD21 HD21 ' A' ' 979' ' ' LEU . 85.0 mt -64.16 -41.7 97.05 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.751 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.68 -44.11 97.08 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.809 -178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 21.4 tt -70.31 -39.95 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.851 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . 0.521 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -60.95 -43.25 99.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.25 -40.74 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.851 0.358 . . . . 1.0 110.643 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.19 90.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.603 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.06 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.13 -42.09 99.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.332 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.5 tp -62.05 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.83 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.42 -43.81 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.989 0.423 . . . . 1.0 109.994 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.429 ' CD1' ' CD1' ' A' ' 993' ' ' PHE . 2.1 t90 -61.8 -45.02 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.784 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.68 -42.87 97.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.313 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.98 -45.1 94.03 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.52 HD11 ' NH2' ' A' ' 995' ' ' ARG . 21.0 tt -69.4 -38.5 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 96.2 m -61.37 -44.46 97.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.396 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.41 -43.75 98.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 1.0 110.451 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -63.97 -38.8 92.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.712 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 995' ' ' ARG . 53.0 m-20 -65.25 -40.82 94.49 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.365 0.602 . . . . 1.0 109.94 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.73 -43.67 98.41 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.725 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' B' ' 727' ' ' PHE . 88.8 tttt -62.77 -42.97 99.93 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 49.12 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.495 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' B' ' 725' ' ' LYS . 89.1 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.14 -0.933 . . . . 1.0 110.407 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.526 -1.43 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -150.62 152.14 33.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.697 0.284 . . . . 1.0 110.481 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.2 126.19 54.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -118.7 131.43 56.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.56 137.29 57.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 38.49 81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 964' ' ' ILE . . . -65.39 -37.87 88.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.496 HD12 ' CD1' ' A' ' 967' ' ' TRP . 28.4 pt 35.14 59.59 2.51 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.168 0.508 . . . . 1.0 111.228 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.35 -11.59 28.74 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.926 2.417 . . . . 1.0 112.607 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 46.4 pt -62.63 -23.92 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.92 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.555 ' O ' HG23 ' A' ' 971' ' ' VAL . 87.1 m95 -62.15 -38.48 89.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.376 -0.53 . . . . 1.0 111.482 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -61.61 -47.62 84.61 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.354 0.501 . . . . 1.0 112.354 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.43 -35.84 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.036 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 967' ' ' TRP . 75.7 t -64.15 -43.76 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.088 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.14 98.56 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.143 -0.551 . . . . 1.0 112.539 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 16.8 m -65.12 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.589 0.694 . . . . 1.0 110.387 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.85 -41.44 99.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -62.22 -26.54 67.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -59.25 -40.65 96.13 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.54 -42.41 99.51 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.707 -0.397 . . . . 1.0 109.997 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 978' ' ' LEU . 11.0 mp -63.19 -41.39 99.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.61 -42.19 99.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.813 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 984' ' ' VAL . 45.9 tp -66.38 -39.99 89.43 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.184 1.468 . . . . 1.0 109.291 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 49.2 m -64.52 -44.22 91.55 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.269 -0.973 . . . . 1.0 111.552 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.14 -45.0 99.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.39 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.26 -41.59 99.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.284 0.564 . . . . 1.0 110.111 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 980' ' ' LEU . 68.8 t -64.36 -43.45 97.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.727 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.43 -43.64 98.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.911 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.216 -0.594 . . . . 1.0 110.64 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 98.7 mmm -66.7 -39.89 88.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.066 0.46 . . . . 1.0 110.911 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.461 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.5 t90 -60.53 -39.7 88.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.336 0.588 . . . . 1.0 109.964 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -12.31 61.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.969 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 986' ' ' ALA . 79.9 t -91.16 -12.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 86.47 12.47 69.73 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.408 -0.677 . . . . 1.0 111.408 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.23 -42.79 99.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.441 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -87.86 -3.48 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.501 -0.479 . . . . 1.0 111.122 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -102.13 123.92 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.559 HH12 ' CG ' ' B' ' 723' ' ' ASP . 76.1 ttt180 -141.34 149.52 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -84.43 111.47 19.5 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.458 -0.897 . . . . 1.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.34 160.88 26.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--N 1.309 -1.516 0 C-N-CA 122.739 2.293 . . . . 1.0 112.106 -179.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.483 0.902 0 N-CA-C 109.586 -0.967 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 34.2 t 53.11 70.63 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.08 -37.59 86.9 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 123.038 2.492 . . . . 1.0 112.084 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.81 -41.98 98.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.519 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -122.2 81.89 0.35 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.0 -38.35 86.67 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.557 2.172 . . . . 1.0 112.37 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.15 140.9 54.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.061 0.458 . . . . 1.0 110.709 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.27 -26.65 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.553 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.72 -42.35 99.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.404 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.52 -44.16 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.052 0.453 . . . . 1.0 110.024 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.77 -44.45 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.23 -43.58 98.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.15 -42.3 96.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.618 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 67.3 m -60.89 -44.76 96.68 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.65 -37.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.56 -0.456 . . . . 1.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.9 mtp -62.63 -40.87 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.613 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.62 -40.27 97.41 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.73 92.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.728 0.299 . . . . 1.0 111.054 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.39 -43.48 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.65 -41.95 99.33 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.272 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.25 -42.1 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.232 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.48 -43.63 98.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.29 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.11 99.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.88 -41.81 99.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 1.0 110.32 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.914 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.4 96.96 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 110.687 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.39 -40.91 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.096 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.48 -41.74 99.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.247 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.22 -44.0 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -58.46 -41.95 86.33 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.987 0.898 . . . . 1.0 109.152 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.458 ' CE ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -61.01 -41.53 96.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' B' ' 717' ' ' LEU . 89.5 mt -62.09 -39.86 93.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 1.0 110.599 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.22 -40.83 95.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 119.909 -0.716 . . . . 1.0 110.698 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.55 -42.77 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 121.389 0.614 . . . . 1.0 109.619 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . 0.458 ' OG1' ' CE ' ' B' ' 716' ' ' LYS . 14.2 m -62.09 -43.44 98.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.592 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.9 -45.47 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.885 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -62.66 -38.65 91.16 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.047 0.451 . . . . 1.0 110.76 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.559 ' CG ' HH12 ' A' ' 995' ' ' ARG . 52.4 m-20 -66.47 -40.14 89.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.346 -0.541 . . . . 1.0 109.592 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -62.12 -43.03 99.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.202 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.65 -44.26 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.3 138.33 58.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.936 -1.03 . . . . 1.0 110.706 -179.865 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.572 -1.411 . . . . 1.0 109.572 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.28 143.36 56.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 1.0 110.627 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 959' ' ' LEU . 11.1 mp -62.77 -41.5 99.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -62.9 142.07 58.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -112.97 135.94 53.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.524 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -64.3 -39.43 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.76 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -133.1 144.44 49.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.889 0.376 . . . . 1.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.688 ' H ' ' CD ' ' A' ' 965' ' ' PRO . 0.4 OUTLIER -111.97 -38.59 0.11 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.642 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.688 ' CD ' ' H ' ' A' ' 964' ' ' ILE . 43.2 Cg_exo -56.97 -30.26 85.68 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.873 2.382 . . . . 1.0 113.064 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 44.4 pt -59.28 -39.85 79.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.634 -0.426 . . . . 1.0 111.482 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -58.05 -38.08 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -62.03 -38.26 88.01 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.489 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 973' ' ' VAL . 44.0 t -62.63 -44.63 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.33 -40.61 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.144 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 66.6 t -61.63 -45.15 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.2 93.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.421 -1.072 . . . . 1.0 110.421 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 969' ' ' VAL . 72.5 t -62.61 -44.43 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 1.0 110.267 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -41.74 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.875 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.25 -37.41 94.83 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.117 -1.193 . . . . 1.0 110.117 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.603 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -63.04 -37.75 95.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.54 -41.81 99.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 978' ' ' LEU . 90.2 mt -62.51 -40.11 95.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.384 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.702 HD13 HD21 ' B' ' 705' ' ' LEU . 78.4 mt -61.15 -44.14 97.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.586 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 984' ' ' VAL . 54.5 tp -64.01 -42.43 97.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.551 . . . . 1.0 110.002 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 89.0 m -62.56 -45.19 94.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.539 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.22 -44.24 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.668 -0.413 . . . . 1.0 111.313 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.4 -42.56 98.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.123 0.487 . . . . 1.0 109.988 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 980' ' ' LEU . 75.3 t -64.2 -43.99 97.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.23 -42.79 99.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.927 -0.579 . . . . 1.0 111.353 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.39 -43.26 99.25 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.181 -0.608 . . . . 1.0 110.851 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 96.8 mmm -64.65 -42.47 95.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.328 0.585 . . . . 1.0 110.608 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 12.6 t90 -63.68 -41.15 98.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 1.0 111.079 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -12.58 60.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.957 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 986' ' ' ALA . 36.0 t -89.4 -19.13 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.717 -0.475 . . . . 1.0 109.717 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.17 12.12 81.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 110.287 -1.125 . . . . 1.0 110.287 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -42.34 99.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.657 -1.238 . . . . 1.0 107.657 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -86.04 -3.34 58.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.677 -0.692 . . . . 1.0 111.614 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.68 124.37 34.54 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.822 -0.751 . . . . 1.0 109.448 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.558 HH22 ' CG ' ' B' ' 723' ' ' ASP . 80.1 mtp85 -140.73 153.55 45.96 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -84.28 112.17 20.06 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.549 -0.86 . . . . 1.0 110.022 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.52 160.59 26.12 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.345 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.306 -1.676 0 C-N-CA 122.458 2.105 . . . . 1.0 112.049 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.485 1.0 0 N-CA-C 109.54 -0.984 . . . . 1.0 109.54 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.98 -38.76 89.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.475 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 14.5 m 49.52 72.5 1.23 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -61.53 145.28 97.99 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.767 2.311 . . . . 1.0 111.976 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.57 -44.31 96.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -164.78 -169.03 27.82 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.19 143.55 94.54 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.483 2.122 . . . . 1.0 112.43 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -62.06 -40.93 97.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.383 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.454 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.9 tt -65.54 -38.89 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.5 tp -61.64 -43.01 99.65 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.111 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.5 -44.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.623 ' O ' HG13 ' B' ' 700' ' ' VAL . 73.7 t -64.12 -44.25 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.657 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.97 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.26 -42.47 99.16 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.541 -0.463 . . . . 1.0 110.083 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 63.8 m -61.3 -44.53 97.06 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.22 0.822 . . . . 1.0 113.22 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.623 HG13 ' O ' ' B' ' 696' ' ' VAL . 1.5 m -65.77 -41.97 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.735 -0.786 . . . . 1.0 110.12 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' B' ' 700' ' ' VAL . 94.1 mtp -63.49 -40.97 98.5 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.66 -41.35 99.07 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.218 -0.753 . . . . 1.0 111.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.6 94.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.314 0.578 . . . . 1.0 110.686 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.603 HG21 ' HA3' ' A' ' 976' ' ' GLY . 97.4 mt -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.257 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 979' ' ' LEU . 71.3 mt -61.73 -41.34 97.51 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.729 -0.471 . . . . 1.0 109.729 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.01 -43.59 98.34 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.48 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.56 -46.08 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.726 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.36 98.88 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.127 -1.035 . . . . 1.0 110.978 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.72 -42.63 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.489 . . . . 1.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.04 95.52 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.938 -0.573 . . . . 1.0 111.738 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.99 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.549 -0.461 . . . . 1.0 110.816 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.68 -41.79 98.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.513 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.92 -42.41 99.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.44 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.38 -43.77 96.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.418 0.627 . . . . 1.0 109.332 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -37.51 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 1.0 109.693 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.12 -41.11 97.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.732 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.76 -36.39 83.73 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 122.134 0.969 . . . . 1.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' B' ' 723' ' ' ASP . 75.8 mt -69.52 -43.18 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 118.33 -1.348 . . . . 1.0 111.227 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.7 m -64.3 -48.14 76.79 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.4 mm -65.44 -48.43 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 119.42 -0.912 . . . . 1.0 111.576 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.9 -42.66 80.8 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.507 0.558 . . . . 1.0 112.507 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.558 ' CG ' HH22 ' A' ' 995' ' ' ARG . 65.5 t0 -62.87 -41.71 99.49 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.76 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' B' ' 725' ' ' LYS . 59.8 ttt85 -61.95 -42.96 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.367 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' B' ' 724' ' ' ARG . 37.5 tttt 79.2 81.68 0.06 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.584 0.707 . . . . 1.0 110.506 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.13 138.7 57.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.482 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 55.2 p90 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.417 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.585 -1.406 . . . . 1.0 109.585 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.16 142.75 56.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 1.0 110.523 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.89 -41.88 99.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 54.91 30.58 14.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.465 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -120.08 133.93 55.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -90.63 138.23 31.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.437 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -68.03 143.15 55.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.642 ' HA ' HD11 ' B' ' 693' ' ' ILE . 2.5 pt -144.55 72.59 15.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.31 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -61.25 144.72 98.87 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 21.3 tt -73.81 -12.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.657 -0.702 . . . . 1.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -57.46 -36.32 71.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.422 ' CD1' HD13 ' B' ' 693' ' ' ILE . 98.4 m95 -56.92 -40.28 76.04 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.379 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 973' ' ' VAL . 50.5 t -66.49 -42.73 90.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 1.0 111.38 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.44 -42.62 99.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.824 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 16.1 m -64.18 -41.24 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 119.811 -0.756 . . . . 1.0 110.177 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -64.16 -38.61 96.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.263 -1.135 . . . . 1.0 110.263 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 969' ' ' VAL . 53.8 t -62.63 -44.72 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.96 0.409 . . . . 1.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.17 -42.59 99.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.51 94.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.4 94.69 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.89 -40.92 99.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.572 . . . . 1.0 109.499 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.915 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.495 HD21 HD13 ' B' ' 705' ' ' LEU . 44.3 tp -61.15 -45.29 95.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.95 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.96 -42.34 94.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 1.0 110.795 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 18.8 m -62.19 -45.68 92.29 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.767 -0.652 . . . . 1.0 112.639 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 42.3 pt -65.3 -41.59 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.215 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.42 -42.54 99.52 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.206 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.59 -44.0 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.408 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.44 -42.69 99.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.449 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.711 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.36 -41.56 98.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.248 -0.581 . . . . 1.0 111.014 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.4 mmm -65.66 -40.63 92.63 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.813 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -64.26 -39.74 94.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.495 0.664 . . . . 1.0 110.464 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -13.42 62.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.219 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 986' ' ' ALA . 83.9 t -87.16 -15.34 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.054 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.61 71.38 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' A' ' 993' ' ' PHE . 3.5 t80 -61.5 -42.66 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 1.0 111.52 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.481 ' CE1' ' CD2' ' B' ' 715' ' ' TRP . 62.4 m-85 -96.31 4.61 52.18 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.475 -0.49 . . . . 1.0 111.549 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.38 125.5 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.857 -0.423 . . . . 1.0 109.857 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.551 HH22 ' CG ' ' B' ' 723' ' ' ASP . 41.8 ttm180 -138.32 144.03 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.723 -0.843 . . . . 1.0 108.723 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -84.27 111.12 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.433 -0.907 . . . . 1.0 110.094 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.83 160.74 25.68 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.173 -0.921 . . . . 1.0 110.507 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo . . . . . 0 C--N 1.309 -1.529 0 C-N-CA 122.613 2.209 . . . . 1.0 112.198 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 N--CA 1.483 0.889 0 N-CA-C 109.609 -0.958 . . . . 1.0 109.609 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.99 -38.56 88.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.712 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 19.1 m -130.63 76.62 77.1 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.94 -37.52 85.83 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.684 2.256 . . . . 1.0 111.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -125.24 144.91 50.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.554 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -92.07 -170.42 41.32 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.36 145.32 98.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.76 2.307 . . . . 1.0 111.885 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.528 ' O ' HG23 ' B' ' 696' ' ' VAL . 96.9 m-20 -74.99 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.624 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 964' ' ' ILE . 93.5 mt -63.52 -43.21 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.985 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.91 -42.36 99.0 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.771 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.03 -44.52 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 692' ' ' ASP . 71.1 t -63.45 -44.08 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.418 -0.81 . . . . 1.0 110.773 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.33 -43.42 98.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.779 -0.369 . . . . 1.0 110.076 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.2 -42.28 99.28 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 60.7 m -60.74 -41.92 96.3 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.578 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 696' ' ' VAL . 54.0 t -62.01 -46.67 95.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.474 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.0 mtp -63.95 -41.14 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.53 -41.59 94.08 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.187 -0.53 . . . . 1.0 111.807 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.45 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' B' ' 704' ' ' ILE . 5.9 tp -68.24 -39.6 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.287 -0.565 . . . . 1.0 110.955 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 979' ' ' LEU . 51.5 tp -62.82 -42.26 99.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 1.0 110.367 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.49 -42.77 99.72 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.71 -43.85 98.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.101 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.11 99.73 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.378 -1.089 . . . . 1.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.24 -42.43 99.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 1.0 110.407 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.06 85.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.26 89.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.903 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.22 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.391 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.623 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.3 -43.92 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.481 ' CD2' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.4 -44.2 97.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.141 -0.689 . . . . 1.0 109.141 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.97 85.58 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 122.07 0.938 . . . . 1.0 109.406 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.74 -43.21 94.08 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 118.921 -1.112 . . . . 1.0 110.753 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.4 -43.21 98.17 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 112.723 0.638 . . . . 1.0 112.723 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 21.2 tt -69.36 -38.75 77.91 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 119.015 -1.074 . . . . 1.0 109.646 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.4 m -60.64 -42.51 97.09 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.23 0.538 . . . . 1.0 111.441 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.21 -42.29 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.837 -0.539 . . . . 1.0 110.631 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -67.6 -37.69 82.91 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.562 -0.711 . . . . 1.0 110.164 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.551 ' CG ' HH22 ' A' ' 995' ' ' ARG . 55.2 m-20 -63.27 -39.05 93.51 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 120.626 -0.429 . . . . 1.0 111.507 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -64.47 -38.27 90.44 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 58.32 38.26 25.95 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.341 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -133.14 145.89 51.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.34 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.229 -0.891 . . . . 1.0 110.346 -179.706 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.75 88.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.739 0.304 . . . . 1.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.96 -41.89 99.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.47 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.79 138.13 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.9 -38.85 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -67.97 134.27 50.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.201 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -151.84 152.52 32.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 7.6 mt -140.29 72.52 32.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.481 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -61.7 145.42 97.45 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.897 2.398 . . . . 1.0 112.13 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 969' ' ' VAL . 45.4 pt -78.45 -14.79 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.71 -38.58 85.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.657 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -60.45 -46.96 88.18 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.0 p -68.51 -33.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.395 -0.522 . . . . 1.0 111.009 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.43 -43.88 97.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.385 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 18.9 m -65.54 -40.14 87.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.2 -40.31 98.82 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 969' ' ' VAL . 76.3 t -63.49 -44.52 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 1.0 110.264 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.43 -41.82 98.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.376 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.51 -40.58 98.89 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.31 -0.716 . . . . 1.0 111.31 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.472 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.89 -42.47 99.67 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.466 -1.054 . . . . 1.0 110.466 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.69 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.295 0.569 . . . . 1.0 110.096 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.44 -41.1 98.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.725 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.712 ' C ' HD23 ' A' ' 979' ' ' LEU . 6.7 tt -61.06 -44.84 96.78 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.801 -0.36 . . . . 1.0 110.678 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 984' ' ' VAL . 55.1 tp -63.18 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.086 0.469 . . . . 1.0 110.131 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 86.8 m -62.51 -44.64 95.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.605 -0.725 . . . . 1.0 112.325 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.09 -44.5 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.673 -0.411 . . . . 1.0 111.791 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.16 -41.86 99.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.413 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 980' ' ' LEU . 69.9 t -63.9 -44.38 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.36 -43.43 98.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.457 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.28 96.87 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.485 -0.486 . . . . 1.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 993' ' ' PHE . 66.7 mtt -65.96 -40.56 91.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.411 . . . . 1.0 110.532 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.447 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.3 t90 -62.12 -39.57 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.398 0.618 . . . . 1.0 109.865 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -35.48 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.683 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.528 ' O ' HG12 ' A' ' 990' ' ' VAL . 48.5 t -86.49 -4.37 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.611 -0.435 . . . . 1.0 111.129 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 80.81 7.57 88.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.18 -41.56 98.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.937 0.399 . . . . 1.0 110.646 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 987' ' ' MET . 3.9 m-30 -87.27 -4.95 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.63 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 991' ' ' GLY . 75.5 mmtt -126.95 125.76 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.533 ' NH1' ' OD1' ' B' ' 723' ' ' ASP . 62.5 ttp180 -140.6 144.28 35.72 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.151 -0.685 . . . . 1.0 109.151 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -84.41 111.18 19.22 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.955 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.79 148.44 34.8 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.285 -0.871 . . . . 1.0 110.179 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.493 1.499 0 C-N-CA 121.984 1.789 . . . . 1.0 112.083 179.876 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo . . . . . 0 N--CA 1.483 0.876 0 N-CA-C 109.545 -0.983 . . . . 1.0 109.545 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.92 -39.28 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.37 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 3.6 m 40.82 73.2 0.9 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.634 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.58 144.98 98.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.736 2.291 . . . . 1.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -82.62 143.02 31.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.427 ' H ' ' HD3' ' B' ' 691' ' ' PRO . . . 137.41 72.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.427 ' HD3' ' H ' ' B' ' 690' ' ' GLY . 22.4 Cg_exo -61.79 145.29 97.31 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.785 2.323 . . . . 1.0 111.775 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.02 168.67 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.463 HG23 ' N ' ' B' ' 694' ' ' LEU . 20.7 tt -65.34 -38.75 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.021 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.463 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.7 tp -62.6 -42.91 99.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.337 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.624 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.83 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.598 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.23 -45.66 92.32 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.279 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.99 -41.79 95.1 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.671 -0.411 . . . . 1.0 111.188 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 78.1 p -62.08 -44.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.412 0.523 . . . . 1.0 112.412 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.7 -40.67 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 119.901 -0.72 . . . . 1.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 94.6 mtp -61.87 -41.15 97.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.303 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.66 96.5 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.63 99.56 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.961 0.41 . . . . 1.0 110.632 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.472 HG21 ' HA3' ' A' ' 976' ' ' GLY . 96.6 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.714 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.444 HD21 HD13 ' A' ' 979' ' ' LEU . 77.5 mt -64.23 -41.37 97.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.453 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.99 -42.03 99.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 46.4 pt -68.35 -40.32 82.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.02 99.78 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.42 -1.072 . . . . 1.0 110.42 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.24 -42.79 99.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 1.0 110.38 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.22 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.34 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.69 -36.71 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.252 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -44.17 97.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.403 ' N ' HD12 ' B' ' 713' ' ' LEU . 11.1 mp -63.43 -41.42 98.68 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.019 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.2 -44.25 99.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.319 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.428 ' CE3' ' CE2' ' A' ' 993' ' ' PHE . 2.0 t90 -62.03 -44.53 96.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.174 -0.676 . . . . 1.0 109.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -39.12 91.34 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.287 0.565 . . . . 1.0 109.753 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.47 -40.01 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.834 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.77 -42.8 98.22 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.745 0.307 . . . . 1.0 110.215 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.65 -42.7 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.987 0.422 . . . . 1.0 110.408 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.0 m -61.09 -39.39 89.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -43.06 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.618 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -64.46 -41.5 96.49 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.252 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.533 ' OD1' ' NH1' ' A' ' 995' ' ' ARG . 55.1 m-20 -61.78 -41.11 97.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.708 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 47.08 42.26 12.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.271 0.557 . . . . 1.0 109.749 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 43.16 30.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.161 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 53.57 30.47 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.648 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.665 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.425 0 N-CA-C 109.317 -1.513 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.48 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 89.8 mt -110.44 132.05 54.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.84 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.85 138.89 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.608 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.88 -38.12 87.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.442 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -66.95 136.65 55.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.248 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -64.56 142.72 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.411 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.562 HD12 ' CG2' ' A' ' 966' ' ' ILE . 0.2 OUTLIER -50.1 149.65 4.88 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.313 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.76 -16.0 45.35 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.72 2.28 . . . . 1.0 112.814 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.562 ' CG2' HD12 ' A' ' 964' ' ' ILE . 20.5 tt -62.85 -26.93 42.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.723 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -58.48 -39.97 81.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.09 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.5 ' CD1' HD12 ' B' ' 693' ' ' ILE . 98.1 m95 -63.4 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.59 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.88 -44.34 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.195 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.03 -41.73 98.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.033 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.82 -44.92 99.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.664 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.32 -39.77 97.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.28 -44.27 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.961 0.41 . . . . 1.0 110.111 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -42.6 99.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.919 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -63.18 -34.14 89.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.431 -1.068 . . . . 1.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.657 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -62.09 -34.69 89.84 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.478 -1.049 . . . . 1.0 110.478 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.9 -40.49 95.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 1.0 110.156 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 978' ' ' LEU . 11.2 mp -62.15 -39.72 93.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.048 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.27 -43.85 98.2 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.971 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 984' ' ' VAL . 3.9 mm? -64.71 -39.84 94.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.774 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 96.6 m -62.06 -44.82 95.85 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.267 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.26 -44.63 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.503 -0.479 . . . . 1.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.05 -41.62 97.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.744 0.307 . . . . 1.0 110.346 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 980' ' ' LEU . 72.8 t -62.59 -44.54 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.895 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.4 -42.72 99.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.086 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.2 96.96 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.409 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 91.1 mmm -64.87 -41.62 95.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.758 -0.377 . . . . 1.0 110.313 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 988' ' ' TRP . 11.8 t90 -63.04 -39.45 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.042 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.79 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.419 -0.809 . . . . 1.0 110.677 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 76.0 t -86.6 -17.34 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.133 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . . . . . . . . . . . 82.43 9.72 84.49 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.549 -1.021 . . . . 1.0 110.549 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.765 0.793 . . . . 1.0 108.868 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -88.66 -3.09 58.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.043 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -113.95 125.02 53.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.556 HH12 ' CG ' ' B' ' 723' ' ' ASP . 10.6 tpp85 -139.79 142.51 36.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.616 -0.883 . . . . 1.0 108.616 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -84.35 111.24 19.25 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.44 -0.904 . . . . 1.0 110.025 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.14 160.58 36.74 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.346 -0.843 . . . . 1.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo . . . . . 0 C--N 1.309 -1.533 0 C-N-CA 122.654 2.236 . . . . 1.0 112.221 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo . . . . . 0 N--CA 1.482 0.828 0 N-CA-C 109.404 -1.037 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -65.89 -38.4 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.198 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 14.5 m -136.14 75.21 54.12 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.715 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.87 144.94 97.23 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.801 2.334 . . . . 1.0 111.897 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.6 141.48 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.586 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -106.01 158.21 15.71 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.11 -23.44 67.02 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.535 2.157 . . . . 1.0 112.104 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.5 -39.2 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.282 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 968' ' ' TRP . 32.3 mm -64.74 -43.29 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.64 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.32 -41.49 98.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.292 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.97 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 700' ' ' VAL . 31.3 m -65.36 -40.91 89.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.87 -43.64 98.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.117 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.24 -43.35 98.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 1.0 110.024 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 65.4 m -60.96 -42.05 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.54 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 696' ' ' VAL . 53.3 t -62.62 -45.04 99.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.051 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 93.2 mtp -62.73 -41.1 99.01 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.259 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.98 97.36 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.58 93.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.27 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.657 HG21 ' HA3' ' A' ' 976' ' ' GLY . 44.4 mm -64.01 -41.98 94.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 111.518 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.75 -42.67 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.003 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 706' ' ' LEU . 77.5 mt -62.89 -41.52 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.115 0.484 . . . . 1.0 109.855 178.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.25 -43.13 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.794 0.806 . . . . 1.0 111.007 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . 0.545 ' CA ' HD11 ' A' ' 980' ' ' LEU . . . -61.03 -42.04 99.65 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-N 115.032 -0.986 . . . . 1.0 111.382 -179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.31 -41.78 98.97 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.702 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.26 94.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.726 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.81 95.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 1.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.23 -41.42 99.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.274 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.14 -43.67 99.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 1.0 110.329 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -60.44 -45.8 92.35 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.184 -0.672 . . . . 1.0 109.184 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -40.54 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.585 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -42.29 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.445 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.85 -41.75 99.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.13 0.491 . . . . 1.0 110.394 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 119.751 -0.779 . . . . 1.0 110.363 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -63.7 -48.5 76.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 35.1 mm -63.57 -47.32 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.453 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -68.07 -43.06 79.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.892 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.556 ' CG ' HH12 ' A' ' 995' ' ' ARG . 64.7 t0 -62.77 -40.84 98.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 1.0 110.439 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 64.45 57.81 1.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . 0.525 ' O ' ' CE2' ' B' ' 727' ' ' PHE . 88.8 tttt -62.51 -44.57 96.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.402 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.18 138.38 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' B' ' 725' ' ' LYS . 96.3 m-85 . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 117.832 -1.08 . . . . 1.0 110.465 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 957' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.82 88.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 1.0 110.66 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 959' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.46 141.92 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -132.4 146.03 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.318 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.69 -40.92 92.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -102.93 131.93 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.647 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -107.98 -19.89 13.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.807 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 1.6 pt -136.71 79.57 39.85 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.755 -179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -60.34 144.17 99.5 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.308 2.005 . . . . 1.0 112.464 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 20.8 tt -67.95 -24.2 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.803 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.441 ' O ' HG23 ' A' ' 971' ' ' VAL . 98.9 m95 -56.26 -36.98 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.527 -177.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.772 ' CD1' HD11 ' B' ' 693' ' ' ILE . 98.7 m95 -58.51 -43.62 89.17 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.374 -0.531 . . . . 1.0 110.51 -179.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 973' ' ' VAL . 48.5 t -65.01 -43.27 96.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.082 0.468 . . . . 1.0 110.382 178.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.06 -41.14 97.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 967' ' ' TRP . 61.9 t -60.8 -45.18 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.339 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.95 -35.64 92.26 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.464 -1.054 . . . . 1.0 110.464 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 969' ' ' VAL . 56.5 t -62.91 -44.77 99.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.484 0.183 . . . . 1.0 111.301 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.37 -40.98 98.2 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -61.6 -41.51 99.59 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.512 -1.035 . . . . 1.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.56 ' HA3' HG21 ' B' ' 704' ' ' ILE . . . -64.66 -38.22 95.38 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.602 -0.999 . . . . 1.0 110.602 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.67 -41.36 99.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 1.0 110.267 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.19 -41.04 97.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.373 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' B' ' 705' ' ' LEU . 39.9 tp -61.66 -44.29 97.24 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.864 -0.334 . . . . 1.0 111.135 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 984' ' ' VAL . 53.6 tp -63.82 -42.17 97.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.905 0.383 . . . . 1.0 110.358 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 91.9 m -62.31 -45.25 94.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.139 -179.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.5 -43.75 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.863 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.655 HD21 HD12 ' B' ' 712' ' ' LEU . 53.3 tp -62.51 -43.25 99.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 1.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 980' ' ' LEU . 73.1 t -63.82 -44.59 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.627 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.4 -42.67 99.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.561 . . . . 1.0 111.106 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -62.25 -41.86 98.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.586 -0.446 . . . . 1.0 111.106 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . . . . . . . . . 99.6 mtp -65.8 -39.99 91.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.217 0.532 . . . . 1.0 110.519 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' A' ' 988' ' ' TRP . 11.7 t90 -65.41 -40.37 93.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.423 0.63 . . . . 1.0 110.217 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -11.16 60.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.466 -179.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 986' ' ' ALA . 37.3 t -88.26 -16.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.055 0.455 . . . . 1.0 110.109 -179.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 994' ' ' LYS . . . 84.27 10.59 79.92 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 992' ' ' PHE . 3.9 t80 -61.22 -42.75 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.576 -0.45 . . . . 1.0 110.984 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.597 ' CE1' ' CD1' ' B' ' 715' ' ' TRP . 67.2 m-85 -86.93 -2.15 58.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 991' ' ' GLY . 88.6 tttt -114.73 130.92 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.9 179.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.919 ' NH1' HD11 ' B' ' 719' ' ' ILE . 94.6 mtm-85 -131.59 152.97 50.37 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.85 -0.796 . . . . 1.0 108.85 179.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -84.0 111.69 19.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.487 -0.885 . . . . 1.0 109.901 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.3 148.7 39.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.108 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 N--CA 1.494 1.536 0 C-N-CA 122.069 1.846 . . . . 1.0 112.027 179.92 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 685' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 109.419 -1.031 . . . . 1.0 109.419 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -113.81 125.91 54.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 687' ' ' SER . . . . . . . . . . . . . 9.2 t -177.89 72.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 688' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -61.64 145.47 97.57 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.751 2.3 . . . . 1.0 111.926 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -113.57 145.52 41.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.506 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . 122.04 78.21 0.46 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -61.51 144.66 98.06 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.793 2.329 . . . . 1.0 112.411 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -40.55 97.7 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.808 -178.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.772 HD11 ' CD1' ' A' ' 968' ' ' TRP . 21.1 tt -65.71 -39.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.019 0.437 . . . . 1.0 111.123 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.466 ' N ' HG23 ' B' ' 693' ' ' ILE . 54.9 tp -62.61 -42.83 99.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.462 -178.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.37 -46.98 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.763 -0.375 . . . . 1.0 111.797 -178.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 23.1 m -66.25 -39.95 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 121.047 -0.261 . . . . 1.0 110.95 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.56 -43.33 99.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.19 -41.03 97.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.599 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -60.78 -44.01 97.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 112.054 -178.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.5 m -65.86 -41.05 89.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 119.666 -0.814 . . . . 1.0 110.487 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 95.0 mtp -63.41 -40.51 97.39 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 -179.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -66.82 -34.22 86.58 Favored Glycine 0 CA--C 1.539 1.564 0 N-CA-C 111.699 -0.56 . . . . 1.0 111.699 179.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.67 98.31 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 119.771 -0.772 . . . . 1.0 109.524 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.56 HG21 ' HA3' ' A' ' 976' ' ' GLY . 51.0 mm -63.99 -43.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.454 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.447 ' CD2' HD23 ' A' ' 979' ' ' LEU . 95.8 mt -60.47 -43.57 96.79 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.621 -0.832 . . . . 1.0 110.79 -178.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.84 -39.15 93.54 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.621 0.724 . . . . 1.0 110.158 179.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 86.8 mt -66.79 -43.54 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.877 0.846 . . . . 1.0 111.608 179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . 0.453 ' HA2' HD13 ' A' ' 980' ' ' LEU . . . -62.88 -44.36 97.55 Favored Glycine 0 N--CA 1.474 1.214 0 N-CA-C 109.806 -1.317 . . . . 1.0 109.806 -179.088 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.77 -42.86 97.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.481 . . . . 1.0 110.1 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.9 95.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.035 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.44 94.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.591 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.668 ' C ' HD23 ' B' ' 712' ' ' LEU . 7.7 tt -62.63 -43.34 99.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.466 -0.333 . . . . 1.0 110.316 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.86 -42.95 99.95 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.662 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.63 -43.85 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.597 ' CD1' ' CE1' ' A' ' 993' ' ' PHE . 1.9 t90 -61.1 -44.95 96.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.764 -0.458 . . . . 1.0 109.764 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.486 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.1 OUTLIER -60.55 -46.66 89.38 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.203 -1.036 . . . . 1.0 108.203 179.831 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.89 -40.71 97.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.397 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.08 -44.27 97.04 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.616 0.599 . . . . 1.0 112.616 -177.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.919 HD11 ' NH1' ' A' ' 995' ' ' ARG . 13.8 tt -68.27 -42.56 84.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 118.78 -1.168 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . 0.486 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 19.7 m -65.17 -48.7 72.56 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 -179.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.58 -45.14 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . 0.5 ' CE1' ' OD1' ' B' ' 723' ' ' ASP . 0.0 OUTLIER -67.87 -41.4 82.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.899 179.65 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.55 ' OD2' ' NH1' ' A' ' 995' ' ' ARG . 51.3 m-20 -61.97 -41.42 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.383 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.8 -40.02 94.55 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.851 0.358 . . . . 1.0 110.685 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 18.4 tttp 49.23 31.0 3.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.01 30.25 7.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.686 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.982 -1.008 . . . . 1.0 110.528 179.966 . . . . . . . . 0 0 . 1 stop_ save_